General Information of the Compound
| Compound ID |
CP0517456
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| Compound Name |
(3S)-3-cyclopropyl-3-[2-[3-(5,5-dimethylcyclopenten-1-yl)phenyl]-3,4-dihydro-2H-chromen-7-yl]propanoic acid
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| Structure |
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| Formula |
C28H32O3
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| Molecular Weight |
416.561
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| Canonical SMILES |
CC1(C)CCC=C1c1cccc(c1)C1CCc2ccc(cc2O1)[C@@H](CC(O)=O)C1CC1
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| InChI |
InChI=1S/C28H32O3/c1-28(2)14-4-7-24(28)21-5-3-6-22(15-21)25-13-12-19-10-11-20(16-26(19)31-25)23(17-27(29)30)18-8-9-18/h3,5-7,10-11,15-16,18,23,25H,4,8-9,12-14,17H2,1-2H3,(H,29,30)/t23-,25?/m0/s1
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| InChIKey |
OBRPAINYPBSYAH-LFQPHHBNSA-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