General Information of the Compound
| Compound ID |
CP0405305
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| Compound Name |
4-Chloro-3'-((2-(cyclopropylmethyl)-1-oxoisoindolin-5-yloxy)-methyl)biphenyl-3-carboxylic Acid
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| Structure |
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| Formula |
C26H22ClNO4
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| Molecular Weight |
447.918
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| Canonical SMILES |
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(CC4CC4)Cc3c2)c1
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| InChI |
InChI=1S/C26H22ClNO4/c27-24-9-6-19(12-23(24)26(30)31)18-3-1-2-17(10-18)15-32-21-7-8-22-20(11-21)14-28(25(22)29)13-16-4-5-16/h1-3,6-12,16H,4-5,13-15H2,(H,30,31)
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| InChIKey |
KVJSUTHOTPIBKD-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