General Information of the Compound
| Compound ID |
CP0390051
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| Compound Name |
N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(7-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C24H27N7O
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| Molecular Weight |
429.528
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| Canonical SMILES |
COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2c(C)nccc12)N1CCN(C)CC1
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| InChI |
InChI=1S/C24H27N7O/c1-16-23-18(6-8-25-16)19(15-27-23)20-7-9-26-24(28-20)29-21-5-4-17(14-22(21)32-3)31-12-10-30(2)11-13-31/h4-9,14-15,27H,10-13H2,1-3H3,(H,26,28,29)
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| InChIKey |
JUSBGYZKUCMHQQ-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
Protein ID: PT00874, Cyclin-dependent kinase 2
Protein ID: PT01056, Dual specificity tyrosine-phosphorylation-regulated kinase 1B