General Information of the Compound
| Compound ID |
CP0486730
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| Compound Name |
(1R,2R)-2-({4-[4-({[3-(methylcarbamoyl)phenyl]carbamoyl}amino)phenyl]phenyl}carbonyl)cyclopentane-1-carboxylic acid
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| Structure |
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| Formula |
C28H27N3O5
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| Molecular Weight |
485.54
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| Canonical SMILES |
CNC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(cc2)C(=O)[C@@H]2CCC[C@H]2C(O)=O)c1
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| InChI |
InChI=1S/C28H27N3O5/c1-29-26(33)20-4-2-5-22(16-20)31-28(36)30-21-14-12-18(13-15-21)17-8-10-19(11-9-17)25(32)23-6-3-7-24(23)27(34)35/h2,4-5,8-16,23-24H,3,6-7H2,1H3,(H,29,33)(H,34,35)(H2,30,31,36)/t23-,24-/m1/s1
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| InChIKey |
FNAJRLWEZUMJRJ-DNQXCXABSA-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