General Information of the Compound
| Compound ID |
CP0418952
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| Compound Name |
(4R)-4-Hydroxy-1-(2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-ylcarbonyl)benzylcarbamoyl)-L-proline-N,N-dimethylamide
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| Structure |
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| Formula |
C27H34N4O4
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| Molecular Weight |
478.593
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| Canonical SMILES |
CN(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12
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| InChI |
InChI=1S/C27H34N4O4/c1-18-14-20(25(33)30-13-7-6-9-19-8-4-5-10-23(19)30)11-12-21(18)16-28-27(35)31-17-22(32)15-24(31)26(34)29(2)3/h4-5,8,10-12,14,22,24,32H,6-7,9,13,15-17H2,1-3H3,(H,28,35)/t22-,24+/m1/s1
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| InChIKey |
PIWGJGUGARXIRP-VWNXMTODSA-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: PT01648, Vasopressin V2 receptor
Protein ID: PT01884, Vasopressin V2 receptor