General Information of the Compound
| Compound ID |
CP0338914
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| Compound Name |
2-[[6-(3,3-difluoropyrrolidin-1-yl)-4-(2-hydroxypropan-2-yl)pyridin-2-yl]amino]pyridine-4-carbonitrile
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| Structure |
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| Formula |
C18H19F2N5O
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| Molecular Weight |
359.38
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| Canonical SMILES |
CC(C)(O)c1cc(Nc2cc(ccn2)C#N)nc(c1)N1CCC(F)(F)C1
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| InChI |
InChI=1S/C18H19F2N5O/c1-17(2,26)13-8-15(23-14-7-12(10-21)3-5-22-14)24-16(9-13)25-6-4-18(19,20)11-25/h3,5,7-9,26H,4,6,11H2,1-2H3,(H,22,23,24)
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| InChIKey |
KSRDBIJRCOLMNC-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