General Information of the Compound
| Compound ID |
CP0503884
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| Compound Name |
2-(((S)-1-(3-(4-hydroxybenzyl)-5-((S)-2-amino-3-methylbutanamido)benzoyl)pyrrolidine-2-carboxamido)methyl)benzoic acid
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| Structure |
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| Formula |
C32H36N4O6
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| Molecular Weight |
572.662
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| Canonical SMILES |
CC(C)[C@H](N)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(c1)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1C(O)=O
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| InChI |
InChI=1S/C32H36N4O6/c1-19(2)28(33)30(39)35-24-16-21(14-20-9-11-25(37)12-10-20)15-23(17-24)31(40)36-13-5-8-27(36)29(38)34-18-22-6-3-4-7-26(22)32(41)42/h3-4,6-7,9-12,15-17,19,27-28,37H,5,8,13-14,18,33H2,1-2H3,(H,34,38)(H,35,39)(H,41,42)/t27-,28-/m0/s1
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| InChIKey |
YBYTVJPRGHOHDZ-NSOVKSMOSA-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
Protein ID: PT01820, Aminopeptidase N
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase