General Information of the Compound
| Compound ID |
CP0138861
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| Compound Name |
2-cyclopentyl-4-(6-phenylquinolin-4-yl)benzoic acid
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| Formula |
C27H23NO2
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| Molecular Weight |
393.486
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| Canonical SMILES |
OC(=O)c1ccc(cc1C1CCCC1)-c1ccnc2ccc(cc12)-c1ccccc1
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| InChI |
InChI=1S/C27H23NO2/c29-27(30)23-12-10-21(17-24(23)19-8-4-5-9-19)22-14-15-28-26-13-11-20(16-25(22)26)18-6-2-1-3-7-18/h1-3,6-7,10-17,19H,4-5,8-9H2,(H,29,30)
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| InChIKey |
GUTPTRYIPKEMBW-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