General Information of the Compound
| Compound ID |
CP0576619
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| Compound Name |
4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-(1-methyltriazol-4-yl)pyrido[4,3-d]pyrimidin-5-one
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| Structure |
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| Formula |
C23H29N11O
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| Molecular Weight |
475.561
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| Canonical SMILES |
CN1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(-c4cn(C)nn4)c3=O)n2)cn1
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| InChI |
InChI=1S/C23H29N11O/c1-23(7-8-23)28-20-19-17(6-11-33(21(19)35)18-14-32(3)30-29-18)26-22(27-20)25-15-12-24-34(13-15)16-4-9-31(2)10-5-16/h6,11-14,16H,4-5,7-10H2,1-3H3,(H2,25,26,27,28)
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| InChIKey |
FSTKHDKXJSSGJP-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