General Information of the Compound
| Compound ID |
CP0387150
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| Compound Name |
2-(3,3-difluoropyrrolidin-1-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine
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| Structure |
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| Formula |
C19H20F5N5O
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| Molecular Weight |
429.393
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| Canonical SMILES |
FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCOCC2)c1
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| InChI |
InChI=1S/C19H20F5N5O/c20-18(21)4-6-29(11-18)17-26-14(12-2-7-30-8-3-12)10-16(28-17)27-15-9-13(1-5-25-15)19(22,23)24/h1,5,9-10,12H,2-4,6-8,11H2,(H,25,26,27,28)
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| InChIKey |
FBTGAWKEJSISFL-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