General Information of the Compound
| Compound ID |
CP0503212
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| Compound Name |
5H-1-benzazepin-5-ylidene acetamide, 1m
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| Structure |
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| Formula |
C27H22ClF2N5O2S
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| Molecular Weight |
554.022
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| Canonical SMILES |
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3nccs3)c3ccccc23)c(Cl)c1
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| InChI |
InChI=1S/C27H22ClF2N5O2S/c1-17-8-11-35(33-17)18-6-7-20(22(28)14-18)26(37)34-12-9-27(29,30)21(19-4-2-3-5-23(19)34)15-24(36)32-16-25-31-10-13-38-25/h2-8,10-11,13-15H,9,12,16H2,1H3,(H,32,36)/b21-15-
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| InChIKey |
KVUXXTSFKCYQJS-QNGOZBTKSA-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