General Information of the Compound
| Compound ID |
CP0458959
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| Compound Name |
4-[3-[(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)oxymethyl]phenyl]-3,5-dimethoxybenzoic acid
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| Structure |
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| Formula |
C29H29NO6
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| Molecular Weight |
487.552
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| Canonical SMILES |
COc1cc(cc(OC)c1-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1)C(O)=O
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| InChI |
InChI=1S/C29H29NO6/c1-34-25-14-20(29(32)33)15-26(35-2)27(25)19-7-5-6-18(12-19)17-36-23-10-11-24-21(13-23)16-30(28(24)31)22-8-3-4-9-22/h5-7,10-15,22H,3-4,8-9,16-17H2,1-2H3,(H,32,33)
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| InChIKey |
OIEJBPSIAOJISX-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