General Information of the Compound
| Compound ID |
CP0496378
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| Compound Name |
Benzoic acid 4-[(S)-2-tert-butylcarbamoyl-2-((S)-4-methyl-2-piperidin-1-yl-pentanoylamino)-ethyl]-phenyl ester
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| Structure |
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| Formula |
C31H43N3O4
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| Molecular Weight |
521.702
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| Canonical SMILES |
CC(C)C[C@H](N1CCCCC1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C31H43N3O4/c1-22(2)20-27(34-18-10-7-11-19-34)29(36)32-26(28(35)33-31(3,4)5)21-23-14-16-25(17-15-23)38-30(37)24-12-8-6-9-13-24/h6,8-9,12-17,22,26-27H,7,10-11,18-21H2,1-5H3,(H,32,36)(H,33,35)/t26-,27-/m0/s1
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| InChIKey |
ZCWIRBQBJJSZDH-SVBPBHIXSA-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