General Information of the Compound
| Compound ID |
CP0895831
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| Compound Name |
2-(([4-(Benzyloxy)phenyl]acetyl}amino)-5-(4-chlorophenyl)indan-2-carboxylic acid
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| Structure |
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| Formula |
C31H26ClNO4
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| Molecular Weight |
512.005
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| Canonical SMILES |
O=C(Cc1ccc(OCc2ccccc2)cc1)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
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| InChI |
InChI=1S/C31H26ClNO4/c32-27-12-10-23(11-13-27)24-8-9-25-18-31(30(35)36,19-26(25)17-24)33-29(34)16-21-6-14-28(15-7-21)37-20-22-4-2-1-3-5-22/h1-15,17H,16,18-20H2,(H,33,34)(H,35,36)
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| InChIKey |
JRPNXMGTTZYZLJ-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