General Information of the Compound
| Compound ID |
CP0440728
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| Compound Name |
5H-1-benzazepin-5-ylidene acetamide, 1p
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| Structure |
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| Formula |
C28H23ClF2N4O3
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| Molecular Weight |
536.966
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| Canonical SMILES |
Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccco3)c3ccccc23)c(Cl)c1
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| InChI |
InChI=1S/C28H23ClF2N4O3/c1-18-10-12-35(33-18)19-8-9-22(24(29)15-19)27(37)34-13-11-28(30,31)23(21-6-2-3-7-25(21)34)16-26(36)32-17-20-5-4-14-38-20/h2-10,12,14-16H,11,13,17H2,1H3,(H,32,36)/b23-16-
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| InChIKey |
SJKFIBOLSXOKSH-KQWNVCNZSA-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