General Information of the Compound
| Compound ID |
CP0951962
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| Compound Name |
(R)-(2-(cyclopropylamino)-3-(4-((2,4-difluorophenyl)fluoromethyl)piperidin-1-yl)pyrido[3,4-b]pyrazin-7-yl)(2-fluoroazetidin-1-yl)methanone
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| Structure |
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| Formula |
C26H26F4N6O
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| Molecular Weight |
514.527
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| Canonical SMILES |
O=C(c1cc2nc(NC3CC3)c(N3CCC([C@@H](F)c4ccc(F)cc4F)CC3)nc2cn1)N1CCC1F
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| InChI |
InChI=1S/C26H26F4N6O/c27-15-1-4-17(18(28)11-15)23(30)14-5-8-35(9-6-14)25-24(32-16-2-3-16)33-19-12-20(31-13-21(19)34-25)26(37)36-10-7-22(36)29/h1,4,11-14,16,22-23H,2-3,5-10H2,(H,32,33)/t22?,23-/m1/s1
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| InChIKey |
LCHQNHRWVWZIHS-OZAIVSQSSA-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