General Information of the Compound
| Compound ID |
CP0503496
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| Compound Name |
(4R)-4-tert-Butoxyoxy-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 |
C31H42N4O4
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| Molecular Weight |
534.701
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| Canonical SMILES |
CN(C)C(=O)[C@@H]1C[C@H](CN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2ccccc12)OC(C)(C)C
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| InChI |
InChI=1S/C31H42N4O4/c1-21-17-23(28(36)34-16-10-9-12-22-11-7-8-13-26(22)34)14-15-24(21)19-32-30(38)35-20-25(39-31(2,3)4)18-27(35)29(37)33(5)6/h7-8,11,13-15,17,25,27H,9-10,12,16,18-20H2,1-6H3,(H,32,38)/t25-,27+/m1/s1
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| InChIKey |
CCXZWQXMMYBATC-VPUSJEBWSA-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