General Information of the Compound
| Compound ID |
CP0064336
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| Compound Name |
5H-1-benzazepin-5-ylidene acetamide, 1a
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| Structure |
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| Formula |
C29H24ClF2N5O2
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| Molecular Weight |
547.993
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| Canonical SMILES |
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
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| InChI |
InChI=1S/C29H24ClF2N5O2/c1-19-11-14-37(35-19)21-9-10-23(25(30)16-21)28(39)36-15-12-29(31,32)24(22-7-2-3-8-26(22)36)17-27(38)34-18-20-6-4-5-13-33-20/h2-11,13-14,16-17H,12,15,18H2,1H3,(H,34,38)/b24-17-
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| InChIKey |
GRCPGLCEGKJUFI-ULJHMMPZSA-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