General Information of the Compound
| Compound ID |
CP0511092
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| Compound Name |
5-[3-[(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)oxymethyl]phenyl]-2-methoxybenzoic acid
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| Structure |
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| Formula |
C28H27NO5
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| Molecular Weight |
457.526
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| Canonical SMILES |
COc1ccc(cc1C(O)=O)-c1cccc(COc2ccc3C(=O)N(Cc3c2)C2CCCC2)c1
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| InChI |
InChI=1S/C28H27NO5/c1-33-26-12-9-20(15-25(26)28(31)32)19-6-4-5-18(13-19)17-34-23-10-11-24-21(14-23)16-29(27(24)30)22-7-2-3-8-22/h4-6,9-15,22H,2-3,7-8,16-17H2,1H3,(H,31,32)
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| InChIKey |
REJFICNMUKYPKE-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