General Information of the Compound
| Compound ID |
CP0899812
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| Compound Name |
2-(([4-(1,3-Benzothiazol-2-yloxy)phenyl]acetyl}amino)-5-(4-chlorophenyl)indan-2-carboxylic acid
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| Structure |
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| Formula |
C31H23ClN2O4S
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| Molecular Weight |
555.055
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| Canonical SMILES |
O=C(Cc1ccc(Oc2nc3ccccc3s2)cc1)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
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| InChI |
InChI=1S/C31H23ClN2O4S/c32-24-11-9-20(10-12-24)21-7-8-22-17-31(29(36)37,18-23(22)16-21)34-28(35)15-19-5-13-25(14-6-19)38-30-33-26-3-1-2-4-27(26)39-30/h1-14,16H,15,17-18H2,(H,34,35)(H,36,37)
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| InChIKey |
GIAKLBQGJQRBJJ-UHFFFAOYSA-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