Note Type	Comments	Provided By
Boiling_Point	254-255?	Alfa-Aesar
Boiling_Point	254-255°	Alfa-Aesar
BP [°C]	255	Acros Organics
Mp [°C]	68 - 72	Acros Organics
Melting_Point	69-72?	Alfa-Aesar
Melting_Point	69-72°	Alfa-Aesar
MP	70	TCI
UniProt Database Links	ACDH4_BURXL; CMTB_PSEP1; CMTB_PSEPU; CP1A1_CANFA; CP1A2_CANFA; CP3A8_MACFA; HDAC8_HUMAN; HOA4_BURXL; HOA_PSES1; HSAC_RHOSR; HSAD_RHOSR; TSSK1_HUMAN	ChEBI
Hazard	C: Corrosive	Acros Organics
Patent Database Links	EP0773026; EP0780386; EP0789021; EP0811593; EP0811613; EP0818453; EP0867753; EP0869122; EP0877021; EP0885869; EP1020439; EP1026165; EP1041074; EP1082324; EP1088819; EP1110966; EP1114668; EP1160236; EP1170296; EP1172106; EP1186318; EP1262177; EP1295886; EP	ChEBI
PUBCHEM_PATENT_ID	EP0890615A1; EP0890615B1	IBM Patent Data
H phrase	H314: Causes severe skin burns and eye damage	Acros Organics
H phrase	H314: Causes severe skin burns and eye damage; H226: Flammable liquid and vapor; EUH019: May form explosive peroxides	Acros Organics
H phrase	H315: Causes skin irritation	Acros Organics
H phrase	H315: Causes skin irritation; H410: Very toxic to aquatic life with long lasting effects; H319: Causes serious eye irritation; H335: May cause respiratory irritation	Acros Organics
P phrase	P261: Avoid breathing dust/fume/gas/mist/vapors/spray	Acros Organics
P phrase	P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P273: Avoid release to the environment; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338:	Acros Organics
P phrase	P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting	Acros Organics
P phrase	P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r	Acros Organics
R phrase	R10: Flammable.	Acros Organics
R phrase	R10: Flammable.; R34: Causes burns.	Acros Organics
R phrase	R36/37/38: Irritating to eyes, respiratory system and skin.	Acros Organics
R phrase	R36/37/38: Irritating to eyes, respiratory system and skin.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.	Acros Organics
S phrase	S16: Keep away from sources of ignition - No smoking.	Acros Organics
S phrase	S16: Keep away from sources of ignition - No smoking.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accid	Acros Organics
S phrase	S23: Do not breathe gas/fumes/vapour/spray.	Acros Organics
S phrase	S23: Do not breathe gas/fumes/vapour/spray.; S60: This material and its container must be disposed of as hazardous waste.; S61: Avoid release to the environment. Refer to special instructions / safety data sheets.	Acros Organics
PUBCHEM_PATENT_ID	US4766226; US4857549	IBM Patent Data
PUBCHEM_PATENT_ID	WO1992020642A1	IBM Patent Data
Hazard	XI: Irritant	Acros Organics
Hazard	XI: Irritant; N: Dangerous for the environment	Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z81034-3-O	A2780 (Ovarian Carcinoma Cells) (cluster #3 Of 10), Other	Other	6000	0.61	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
Z81034	Z81034	A2780 (Ovarian Carcinoma Cells)	6000	0.61	Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.

Synonyms (19)
Vendors (26)
Annotations (18)
Representations (1)
Notes (31)
Targets (1)
Clustered (1)
Reactome (0)
Rings (0)
Analogs (0)