General Information of the Compound
| Compound ID |
CP0553327
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| Compound Name |
5-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]-2-methoxybenzoic acid
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| Structure |
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| Formula |
C31H32O5
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| Molecular Weight |
484.592
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| Canonical SMILES |
COc1ccc(cc1C(O)=O)-c1cccc(COc2cc3CC(C4CCCC4)C(=O)c3c(C)c2C)c1
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| InChI |
InChI=1S/C31H32O5/c1-18-19(2)29-24(15-25(30(29)32)21-8-4-5-9-21)16-28(18)36-17-20-7-6-10-22(13-20)23-11-12-27(35-3)26(14-23)31(33)34/h6-7,10-14,16,21,25H,4-5,8-9,15,17H2,1-3H3,(H,33,34)
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| InChIKey |
QNEZRUBKHBQUPC-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