General Information of the Compound
| Compound ID |
CP0501187
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| Compound Name |
Benzoic acid 4-((S)-2-tert-butoxycarbonyl-2-{[4-isopropyl-1-(3-methyl-butyl)-piperidine-2-carbonyl]-amino}-ethyl)-phenyl ester
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| Structure |
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| Formula |
C34H48N2O5
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| Molecular Weight |
564.767
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| Canonical SMILES |
CC(C)CCN1CCC(CC1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C)C(C)C
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| InChI |
InChI=1S/C34H48N2O5/c1-23(2)17-19-36-20-18-27(24(3)4)22-30(36)31(37)35-29(33(39)41-34(5,6)7)21-25-13-15-28(16-14-25)40-32(38)26-11-9-8-10-12-26/h8-16,23-24,27,29-30H,17-22H2,1-7H3,(H,35,37)/t27?,29-,30?/m0/s1
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| InChIKey |
RGFNFGSQVBRRIT-DFQUZENCSA-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