General Information of the Compound
| Compound ID |
CP0549798
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| Compound Name |
2-[[1-[(2S,4S)-1,2-dimethylpiperidin-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 |
C22H30N8O
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| Molecular Weight |
422.537
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| Canonical SMILES |
C[C@H]1C[C@H](CCN1C)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(C)c3=O)n2)cn1
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| InChI |
InChI=1S/C22H30N8O/c1-14-11-16(5-9-28(14)3)30-13-15(12-23-30)24-21-25-17-6-10-29(4)20(31)18(17)19(26-21)27-22(2)7-8-22/h6,10,12-14,16H,5,7-9,11H2,1-4H3,(H2,24,25,26,27)/t14-,16-/m0/s1
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| InChIKey |
KRRNWAQIPCYHMU-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