General Information of the Compound
| Compound ID |
CP0917348
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| Compound Name |
(R)-7-(3,4-dichlorophenyl)-5-methyl-6-(1-(4-methylpyridin-2-yl)-1H-1,2,4-triazol-5-yl)-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C22H16Cl2F3N7
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| Molecular Weight |
506.319
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| Canonical SMILES |
CC1=C(c2ncnn2-c2cc(C)ccn2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(C(F)(F)F)cc2N1
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| InChI |
InChI=1S/C22H16Cl2F3N7/c1-11-5-6-28-17(7-11)34-21(29-10-30-34)19-12(2)31-18-9-16(22(25,26)27)32-33(18)20(19)13-3-4-14(23)15(24)8-13/h3-10,20,31H,1-2H3/t20-/m1/s1
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| InChIKey |
VGUHYYGMYRDKHS-HXUWFJFHSA-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