General Information of the Compound
| Compound ID |
CP0567943
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| Compound Name |
6-(2,2-difluoroethyl)-2-[[1-[(1R,4R,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-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 |
CN1C[C@H]2C[C@@H]1C[C@@H]2n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(CC(F)F)c3=O)n2)cn1
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| InChI |
InChI=1S/C23H28F2N8O/c1-23(4-5-23)30-20-19-16(3-6-32(21(19)34)12-18(24)25)28-22(29-20)27-14-9-26-33(11-14)17-8-15-7-13(17)10-31(15)2/h3,6,9,11,13,15,17-18H,4-5,7-8,10,12H2,1-2H3,(H2,27,28,29,30)/t13-,15-,17+/m1/s1
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| InChIKey |
JDHQUBOLROEDKO-UNEWFSDZSA-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