General Information of the Compound
| Compound ID |
CP0721537
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| Compound Name |
(R)-7-(3,4-dichlorophenyl)-6-(1-(6-fluoropyridin-2-yl)-1H-1,2,4-triazol-5-yl)-5-methyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
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| Structure |
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| Formula |
C21H13Cl2F4N7
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| Molecular Weight |
510.282
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| Canonical SMILES |
CC1=C(c2ncnn2-c2cccc(F)n2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nc(C(F)(F)F)cc2N1
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| InChI |
InChI=1S/C21H13Cl2F4N7/c1-10-18(20-28-9-29-34(20)16-4-2-3-15(24)31-16)19(11-5-6-12(22)13(23)7-11)33-17(30-10)8-14(32-33)21(25,26)27/h2-9,19,30H,1H3/t19-/m1/s1
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| InChIKey |
SWUSGAIOJBWJOA-LJQANCHMSA-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