General Information of the Compound
| Compound ID |
CP0499528
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| Compound Name |
3-[3-[(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)oxymethyl]phenyl]-4-methylbenzoic acid
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| Structure |
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| Formula |
C28H27NO4
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| Molecular Weight |
441.527
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| Canonical SMILES |
Cc1ccc(cc1-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1)C(O)=O
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| InChI |
InChI=1S/C28H27NO4/c1-18-9-10-21(28(31)32)15-26(18)20-6-4-5-19(13-20)17-33-24-11-12-25-22(14-24)16-29(27(25)30)23-7-2-3-8-23/h4-6,9-15,23H,2-3,7-8,16-17H2,1H3,(H,31,32)
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| InChIKey |
WXJPZVBSFWJYDQ-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