General Information of the Compound
| Compound ID |
CP0423012
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| Compound Name |
3-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C30H30O4
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| Molecular Weight |
454.566
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| Canonical SMILES |
Cc1c2C(=O)C(Cc2cc(OCc2cccc(c2)-c2cccc(c2)C(O)=O)c1C)C1CCCC1
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| InChI |
InChI=1S/C30H30O4/c1-18-19(2)28-25(15-26(29(28)31)21-8-3-4-9-21)16-27(18)34-17-20-7-5-10-22(13-20)23-11-6-12-24(14-23)30(32)33/h5-7,10-14,16,21,26H,3-4,8-9,15,17H2,1-2H3,(H,32,33)
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| InChIKey |
GASRLPRUSRJGRY-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