General Information of the Compound
| Compound ID |
CP0055575
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| Compound Name |
[4-[(6R)-5-[5-(hydroxymethyl)-4-(trifluoromethyl)pyrimidin-2-yl]-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]-2-methylsulfonylphenyl]methanol
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| Structure |
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| Formula |
C22H24F3N5O4S
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| Molecular Weight |
511.526
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| Canonical SMILES |
CC(C)[C@H]1N(Cc2cn(nc12)-c1ccc(CO)c(c1)S(C)(=O)=O)c1ncc(CO)c(n1)C(F)(F)F
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| InChI |
InChI=1S/C22H24F3N5O4S/c1-12(2)19-18-15(8-29(19)21-26-7-14(11-32)20(27-21)22(23,24)25)9-30(28-18)16-5-4-13(10-31)17(6-16)35(3,33)34/h4-7,9,12,19,31-32H,8,10-11H2,1-3H3/t19-/m1/s1
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| InChIKey |
HFGCUOYYZKNQLX-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