General Information of the Compound
| Compound ID |
CP0853731
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| Compound Name |
(R)-7-(3,4-dichlorophenyl)-5-methyl-6-(1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C17H13Cl2F3N6
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| Molecular Weight |
429.233
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| Canonical SMILES |
CC1=C(c2ncnn2CC(F)(F)F)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1
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| InChI |
InChI=1S/C17H13Cl2F3N6/c1-9-14(16-23-8-25-27(16)7-17(20,21)22)15(28-13(26-9)4-5-24-28)10-2-3-11(18)12(19)6-10/h2-6,8,15,26H,7H2,1H3/t15-/m1/s1
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| InChIKey |
XZOFQAWJBBRPNT-OAHLLOKOSA-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