General Information of the Compound
| Compound ID |
CP0405303
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| Compound Name |
4-chloro-3'-((2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yloxy)methyl)biphenyl-3-carboxylic acid
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| Structure |
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| Formula |
C30H29ClO4
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| Molecular Weight |
489.011
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| Canonical SMILES |
Cc1c2C(=O)C(Cc2cc(OCc2cccc(c2)-c2ccc(Cl)c(c2)C(O)=O)c1C)C1CCCC1
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| InChI |
InChI=1S/C30H29ClO4/c1-17-18(2)28-23(14-24(29(28)32)20-7-3-4-8-20)15-27(17)35-16-19-6-5-9-21(12-19)22-10-11-26(31)25(13-22)30(33)34/h5-6,9-13,15,20,24H,3-4,7-8,14,16H2,1-2H3,(H,33,34)
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| InChIKey |
UKCJSYABFAKHMI-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