General Information of the Compound
| Compound ID |
CP0384468
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| Compound Name |
5H-1-benzazepin-5-ylidene acetamide, 1f
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| Structure |
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| Formula |
C30H26ClF2N5O3
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| Molecular Weight |
578.019
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| Canonical SMILES |
COc1cccc(CNC(=O)\C=C2\c3ccccc3N(CCC2(F)F)C(=O)c2ccc(cc2Cl)-n2ccc(C)n2)n1
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| InChI |
InChI=1S/C30H26ClF2N5O3/c1-19-12-14-38(36-19)21-10-11-23(25(31)16-21)29(40)37-15-13-30(32,33)24(22-7-3-4-8-26(22)37)17-27(39)34-18-20-6-5-9-28(35-20)41-2/h3-12,14,16-17H,13,15,18H2,1-2H3,(H,34,39)/b24-17-
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| InChIKey |
VFGUUFALPPOHKD-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