General Information of the Compound
| Compound ID |
CP0473464
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| Compound Name |
4-[(4S,5S)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4-methyl-4,5-dihydro-1H-pyrazol-3-yl]-2-methoxybenzoic Acid
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| Structure |
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| Formula |
C24H24ClN3O3
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| Molecular Weight |
437.927
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| Canonical SMILES |
COc1cc(ccc1C(O)=O)C1=NN([C@@H](C2CCCC2)[C@H]1C)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C24H24ClN3O3/c1-14-22(16-8-10-19(24(29)30)21(11-16)31-2)27-28(23(14)15-5-3-4-6-15)18-9-7-17(13-26)20(25)12-18/h7-12,14-15,23H,3-6H2,1-2H3,(H,29,30)/t14-,23+/m0/s1
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| InChIKey |
XESZSROXZVELDI-LFVRLGFBSA-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