General Information of the Compound
| Compound ID |
CP0575750
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| Compound Name |
6-(2,2-difluoroethyl)-2-[[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]amino]-4-[(1-methylcyclopropyl)amino]pyrido[4,3-d]pyrimidin-5-one
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| Structure |
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| Formula |
C23H28F2N8O
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| Molecular Weight |
470.528
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| Canonical SMILES |
CN1CC2(CC(C2)n2cc(Nc3nc(NC4(C)CC4)c4c(ccn(CC(F)F)c4=O)n3)cn2)C1
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| InChI |
InChI=1S/C23H28F2N8O/c1-22(4-5-22)30-19-18-16(3-6-32(20(18)34)11-17(24)25)28-21(29-19)27-14-9-26-33(10-14)15-7-23(8-15)12-31(2)13-23/h3,6,9-10,15,17H,4-5,7-8,11-13H2,1-2H3,(H2,27,28,29,30)
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| InChIKey |
YTGSDNUYBBJPQX-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