General Information of the Compound
| Compound ID |
CP0495129
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| Compound Name |
Benzoic acid 4-((S)-2-tert-butylcarbamoyl-2-{(S)-2-[(4-methoxy-benzyl)-methyl-amino]-4-methyl-pentanoylamino}-ethyl)-phenyl ester
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| Structure |
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| Formula |
C35H45N3O5
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| Molecular Weight |
587.761
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| Canonical SMILES |
COc1ccc(CN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)NC(C)(C)C)cc1
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| InChI |
InChI=1S/C35H45N3O5/c1-24(2)21-31(38(6)23-26-15-17-28(42-7)18-16-26)33(40)36-30(32(39)37-35(3,4)5)22-25-13-19-29(20-14-25)43-34(41)27-11-9-8-10-12-27/h8-20,24,30-31H,21-23H2,1-7H3,(H,36,40)(H,37,39)/t30-,31-/m0/s1
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| InChIKey |
ZTNMIGOUCRNDHM-CONSDPRKSA-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