General Information of the Compound
| Compound ID |
CP0534949
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| Compound Name |
Benzoic acid 4-((S)-2-tert-butoxycarbonyl-2-{[1-(3-methyl-butyl)-piperidine-2-carbonyl]-amino}-ethyl)-phenyl ester
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| Structure |
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| Formula |
C31H42N2O5
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| Molecular Weight |
522.686
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| Canonical SMILES |
CC(C)CCN1CCCCC1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C31H42N2O5/c1-22(2)18-20-33-19-10-9-13-27(33)28(34)32-26(30(36)38-31(3,4)5)21-23-14-16-25(17-15-23)37-29(35)24-11-7-6-8-12-24/h6-8,11-12,14-17,22,26-27H,9-10,13,18-21H2,1-5H3,(H,32,34)/t26-,27?/m0/s1
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| InChIKey |
GBYYUEIXEOYDDW-QBHOUYDASA-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