General Information of the Compound
| Compound ID |
CP0504141
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| Compound Name |
4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4,5-dihydro-1H-pyrazol-3-yl]-3-methoxybenzoic Acid
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| Structure |
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| Formula |
C23H22ClN3O3
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| Molecular Weight |
423.9
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| Canonical SMILES |
COc1cc(ccc1C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1)C(O)=O
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| InChI |
InChI=1S/C23H22ClN3O3/c1-30-22-10-15(23(28)29)7-9-18(22)20-12-21(14-4-2-3-5-14)27(26-20)17-8-6-16(13-25)19(24)11-17/h6-11,14,21H,2-5,12H2,1H3,(H,28,29)/t21-/m1/s1
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| InChIKey |
JBFBMMXMFHQWEV-OAQYLSRUSA-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