General Information of the Compound
| Compound ID |
CP0463086
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| Compound Name |
Benzoic acid 4-{(S)-2-tert-butylcarbamoyl-2-[(S)-2-(isopropyl-methyl-amino)-4-methyl-pentanoylamino]-ethyl}-phenyl ester
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| Structure |
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| Formula |
C30H43N3O4
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| Molecular Weight |
509.691
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| Canonical SMILES |
CC(C)C[C@H](N(C)C(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/C30H43N3O4/c1-20(2)18-26(33(8)21(3)4)28(35)31-25(27(34)32-30(5,6)7)19-22-14-16-24(17-15-22)37-29(36)23-12-10-9-11-13-23/h9-17,20-21,25-26H,18-19H2,1-8H3,(H,31,35)(H,32,34)/t25-,26-/m0/s1
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| InChIKey |
MYFQBOLGVURRKZ-UIOOFZCWSA-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