General Information of the Compound
| Compound ID |
CP0501888
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| Compound Name |
4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4,5-dihydro-1H-pyrazol-3-yl]-2-fluorobenzoic Acid
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| Structure |
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| Formula |
C22H19ClFN3O2
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| Molecular Weight |
411.864
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| Canonical SMILES |
OC(=O)c1ccc(cc1F)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C22H19ClFN3O2/c23-18-10-16(7-5-15(18)12-25)27-21(13-3-1-2-4-13)11-20(26-27)14-6-8-17(22(28)29)19(24)9-14/h5-10,13,21H,1-4,11H2,(H,28,29)/t21-/m1/s1
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| InChIKey |
YZEPABWVYWBIKG-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