General Information of the Compound
| Compound ID |
CP0569551
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| Compound Name |
2-[[1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]pyrazol-4-yl]amino]-6-methyl-4-[(1-methylcyclopropyl)amino]pyrido[4,3-d]pyrimidin-5-one
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| Structure |
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| Formula |
C21H27FN8O
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| Molecular Weight |
426.5
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| Canonical SMILES |
CN1CC[C@@H]([C@@H](F)C1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1
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| InChI |
InChI=1S/C21H27FN8O/c1-21(6-7-21)27-18-17-15(4-9-29(3)19(17)31)25-20(26-18)24-13-10-23-30(11-13)16-5-8-28(2)12-14(16)22/h4,9-11,14,16H,5-8,12H2,1-3H3,(H2,24,25,26,27)/t14-,16-/m0/s1
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| InChIKey |
PJQPSGZYLYTMQG-HOCLYGCPSA-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