General Information of the Compound
| Compound ID |
CP0486456
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| Compound Name |
Benzoic acid 4-{(S)-2-tert-butylcarbamoyl-2-[(S)-4-methyl-2-(methyl-pyridin-3-ylmethyl-amino)-pentanoylamino]-ethyl}-phenyl ester
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| Structure |
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| Formula |
C33H42N4O4
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| Molecular Weight |
558.723
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| Canonical SMILES |
CC(C)C[C@H](N(C)Cc1cccnc1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C33H42N4O4/c1-23(2)19-29(37(6)22-25-11-10-18-34-21-25)31(39)35-28(30(38)36-33(3,4)5)20-24-14-16-27(17-15-24)41-32(40)26-12-8-7-9-13-26/h7-18,21,23,28-29H,19-20,22H2,1-6H3,(H,35,39)(H,36,38)/t28-,29-/m0/s1
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| InChIKey |
ZDRYUNURXIELMP-VMPREFPWSA-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