General Information of the Compound
| Compound ID |
CP0534262
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| Compound Name |
Benzoic acid 4-((S)-2-tert-butylcarbamoyl-2-{(S)-4-methyl-2-[methyl-(3-phenyl-propyl)-amino]-pentanoylamino}-ethyl)-phenyl ester
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| Structure |
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| Formula |
C36H47N3O4
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| Molecular Weight |
585.789
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| Canonical SMILES |
CC(C)C[C@H](N(C)CCCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C36H47N3O4/c1-26(2)24-32(39(6)23-13-16-27-14-9-7-10-15-27)34(41)37-31(33(40)38-36(3,4)5)25-28-19-21-30(22-20-28)43-35(42)29-17-11-8-12-18-29/h7-12,14-15,17-22,26,31-32H,13,16,23-25H2,1-6H3,(H,37,41)(H,38,40)/t31-,32-/m0/s1
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| InChIKey |
MNFBAYCPPKGRMJ-ACHIHNKUSA-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