General Information of the Compound
| Compound ID |
CP0510163
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| Compound Name |
5-(2,4-bis(trifluoromethyl)phenyl)-2-(dipropylamino)-3,7-dimethyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
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| Structure |
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| Formula |
C22H24F6N4O
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| Molecular Weight |
474.449
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| Canonical SMILES |
CCCN(CCC)c1nc2n(C)cc(-c3ccc(cc3C(F)(F)F)C(F)(F)F)c2c(=O)n1C
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| InChI |
InChI=1S/C22H24F6N4O/c1-5-9-32(10-6-2)20-29-18-17(19(33)31(20)4)15(12-30(18)3)14-8-7-13(21(23,24)25)11-16(14)22(26,27)28/h7-8,11-12H,5-6,9-10H2,1-4H3
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| InChIKey |
DZIJEGITCCCWMO-UHFFFAOYSA-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