General Information of the Compound
| Compound ID |
CP0484577
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| Compound Name |
Benzoic acid 4-((S)-2-{(S)-2-[(4-tert-butyl-benzyl)-methyl-amino]-4-methyl-pentanoylamino}-2-tert-butylcarbamoyl-ethyl)-phenyl ester
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| Structure |
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| Formula |
C38H51N3O4
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| Molecular Weight |
613.843
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| Canonical SMILES |
CC(C)C[C@H](N(C)Cc1ccc(cc1)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/C38H51N3O4/c1-26(2)23-33(41(9)25-28-15-19-30(20-16-28)37(3,4)5)35(43)39-32(34(42)40-38(6,7)8)24-27-17-21-31(22-18-27)45-36(44)29-13-11-10-12-14-29/h10-22,26,32-33H,23-25H2,1-9H3,(H,39,43)(H,40,42)/t32-,33-/m0/s1
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| InChIKey |
HEPQIDBMXXAHTJ-LQJZCPKCSA-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