General Information of the Compound
| Compound ID |
CP0438387
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| Compound Name |
Benzoic acid 4-[(S)-2-tert-butylcarbamoyl-2-((S)-2-dimethylamino-4-methyl-pentanoylamino)-ethyl]-phenyl ester
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| Structure |
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| Formula |
C28H39N3O4
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| Molecular Weight |
481.637
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| Canonical SMILES |
CC(C)C[C@H](N(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C28H39N3O4/c1-19(2)17-24(31(6)7)26(33)29-23(25(32)30-28(3,4)5)18-20-13-15-22(16-14-20)35-27(34)21-11-9-8-10-12-21/h8-16,19,23-24H,17-18H2,1-7H3,(H,29,33)(H,30,32)/t23-,24-/m0/s1
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| InChIKey |
ZLIKSOPWGHWESY-ZEQRLZLVSA-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