General Information of the Compound
| Compound ID |
CP0501890
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| Compound Name |
2-[4-[(3R)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]phenyl]acetic acid
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| Structure |
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| Formula |
C23H22ClN3O2
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| Molecular Weight |
407.901
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| Canonical SMILES |
OC(=O)Cc1ccc(cc1)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C23H22ClN3O2/c24-20-12-19(10-9-18(20)14-25)27-22(17-3-1-2-4-17)13-21(26-27)16-7-5-15(6-8-16)11-23(28)29/h5-10,12,17,22H,1-4,11,13H2,(H,28,29)/t22-/m1/s1
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| InChIKey |
DCPHUVOAQCPZFB-JOCHJYFZSA-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