General Information of the Compound
| Compound ID |
CP0931117
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| Compound Name |
5-(4-Chlorophenyl)-2-({[4-(3-thienylmethoxy)phenyl]acetyl}amino)indan-2-carboxylic acid
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| Structure |
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| Formula |
C29H24ClNO4S
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| Molecular Weight |
518.034
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| Canonical SMILES |
O=C(Cc1ccc(OCc2ccsc2)cc1)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
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| InChI |
InChI=1S/C29H24ClNO4S/c30-25-7-5-21(6-8-25)22-3-4-23-15-29(28(33)34,16-24(23)14-22)31-27(32)13-19-1-9-26(10-2-19)35-17-20-11-12-36-18-20/h1-12,14,18H,13,15-17H2,(H,31,32)(H,33,34)
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| InChIKey |
YZBHAGQOPQAVNB-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