General Information of the Compound
| Compound ID |
CP0871819
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| Compound Name |
(7R)-7-(3,4-dichlorophenyl)-6-(1-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C21H15Cl2FN6
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| Molecular Weight |
441.297
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| Canonical SMILES |
CC1=C(c2ncnn2-c2ccccc2F)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1
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| InChI |
InChI=1S/C21H15Cl2FN6/c1-12-19(21-25-11-27-29(21)17-5-3-2-4-16(17)24)20(30-18(28-12)8-9-26-30)13-6-7-14(22)15(23)10-13/h2-11,20,28H,1H3/t20-/m1/s1
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| InChIKey |
PBIWHQJMLIKBHX-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