General Information of the Compound
| Compound ID |
CP0046458
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| Compound Name |
(6R)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole
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| Structure |
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| Formula |
C20H20F3N5O2S
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| Molecular Weight |
451.474
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| Canonical SMILES |
CC(C)[C@H]1N(Cc2cn(nc12)-c1cccc(c1)S(C)(=O)=O)c1nccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C20H20F3N5O2S/c1-12(2)18-17-13(10-27(18)19-24-8-7-16(25-19)20(21,22)23)11-28(26-17)14-5-4-6-15(9-14)31(3,29)30/h4-9,11-12,18H,10H2,1-3H3/t18-/m1/s1
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| InChIKey |
WZQNVHXAZPMTQI-GOSISDBHSA-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