General Information of the Compound
| Compound ID |
CP0401893
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| Compound Name |
(4R)-4-Methoxy-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 |
C28H36N4O4
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| Molecular Weight |
492.62
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| Canonical SMILES |
CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)C(=O)N(C)C
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| InChI |
InChI=1S/C28H36N4O4/c1-19-15-21(26(33)31-14-8-7-10-20-9-5-6-11-24(20)31)12-13-22(19)17-29-28(35)32-18-23(36-4)16-25(32)27(34)30(2)3/h5-6,9,11-13,15,23,25H,7-8,10,14,16-18H2,1-4H3,(H,29,35)/t23-,25+/m1/s1
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| InChIKey |
AWOLMGJLKPNBDY-NOZRDPDXSA-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