General Information of the Compound
| Compound ID |
CP0374210
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| Compound Name |
5H-1-benzazepin-5-ylidene acetamide, 1s
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| Structure |
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| Formula |
C26H25ClF2N4O2
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| Molecular Weight |
498.961
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| Canonical SMILES |
CCCNC(=O)\C=C1\c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1Cl)-n1ccc(C)n1
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| InChI |
InChI=1S/C26H25ClF2N4O2/c1-3-12-30-24(34)16-21-19-6-4-5-7-23(19)32(14-11-26(21,28)29)25(35)20-9-8-18(15-22(20)27)33-13-10-17(2)31-33/h4-10,13,15-16H,3,11-12,14H2,1-2H3,(H,30,34)/b21-16-
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| InChIKey |
VTHPUFGBIATHEY-PGMHBOJBSA-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