General Information of the Compound
| Compound ID |
CP0438526
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| Compound Name |
Benzoic acid 4-{(S)-2-tert-butylcarbamoyl-2-[(S)-2-(sec-butyl-methyl-amino)-4-methyl-pentanoylamino]-ethyl}-phenyl ester
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| Structure |
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| Formula |
C31H45N3O4
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| Molecular Weight |
523.718
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| Canonical SMILES |
CCC(C)N(C)[C@@H](CC(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/C31H45N3O4/c1-9-22(4)34(8)27(19-21(2)3)29(36)32-26(28(35)33-31(5,6)7)20-23-15-17-25(18-16-23)38-30(37)24-13-11-10-12-14-24/h10-18,21-22,26-27H,9,19-20H2,1-8H3,(H,32,36)(H,33,35)/t22?,26-,27-/m0/s1
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| InChIKey |
SRIKSRIESRUOBY-ILRLXPBVSA-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