General Information of the Compound
| Compound ID |
CP0040044
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| Compound Name |
3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-ylcarbonyl)-1-(5-fluoro-2-methylphenylcarboxamido)benzene
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| Synonyms |
VPA985
168079-32-1
8F5X4B082E
AC1L59LM
AKOS022181388
AN-1842
API0009250
BCP09167
BDBM50065115
BF-Derm1
CHEMBL49429
CRTX-080
CS-7512
DTXSID00168472
EX-A1129
GTPL2238
Lixar
Lixivaptan
Lixivaptan (USAN/INN)
Lixivaptan (VPA-985)
Lixivaptan [USAN:INN]
N-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-5-fluoro-2-methylbenzamide
NCGC00485402-01
PPHTXRNHTVLQED-UHFFFAOYSA-N
SCHEMBL1649340
UNII-8F5X4B082E
VPA 985
VPA-985
VPA985
WAY VPA-985
WAY-VPA 985
WAY-VPA-985
ZINC600399
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| Structure |
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| Formula |
C27H21ClFN3O2
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| Molecular Weight |
473.935
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| Canonical SMILES |
Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
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| InChI |
InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)
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| InChIKey |
PPHTXRNHTVLQED-UHFFFAOYSA-N
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| CAS |
168079-32-1
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01658, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor
Protein ID: PT01648, Vasopressin V2 receptor
Clinical Information about the Compound