General Information of the Compound
| Compound ID |
CP0543049
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| Compound Name |
N-[4-[(5R)-5-hydroxy-9-methyl-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
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| Structure |
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| Formula |
C26H26N2O3
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| Molecular Weight |
414.505
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| Canonical SMILES |
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](O)c2cccc(C)c12
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| InChI |
InChI=1S/C26H26N2O3/c1-17-7-3-4-9-21(17)25(30)27-20-14-12-19(13-15-20)26(31)28-16-6-11-23(29)22-10-5-8-18(2)24(22)28/h3-5,7-10,12-15,23,29H,6,11,16H2,1-2H3,(H,27,30)/t23-/m1/s1
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| InChIKey |
GIPUQWJSEMKBFV-HSZRJFAPSA-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