General Information of the Compound
| Compound ID |
CP0503213
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| Compound Name |
5H-1-benzazepin-5-ylidene acetamide, 1o
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| Structure |
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| Formula |
C31H25ClF2N6O2
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| Molecular Weight |
587.03
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| Canonical SMILES |
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3nc4ccccc4[nH]3)c3ccccc23)c(Cl)c1
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| InChI |
InChI=1S/C31H25ClF2N6O2/c1-19-12-14-40(38-19)20-10-11-22(24(32)16-20)30(42)39-15-13-31(33,34)23(21-6-2-5-9-27(21)39)17-29(41)35-18-28-36-25-7-3-4-8-26(25)37-28/h2-12,14,16-17H,13,15,18H2,1H3,(H,35,41)(H,36,37)/b23-17-
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| InChIKey |
MPMWRYXLLWSRCO-QJOMJCCJSA-N
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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: PT01839, Vasopressin V1a receptor
Protein ID: PT01648, Vasopressin V2 receptor