General Information of the Compound
| Compound ID |
CP0088578
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| Compound Name |
N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C23H25N7O
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| Molecular Weight |
415.501
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| Canonical SMILES |
COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12)N1CCN(C)CC1
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| InChI |
InChI=1S/C23H25N7O/c1-29-9-11-30(12-10-29)16-3-4-20(22(13-16)31-2)28-23-25-8-6-19(27-23)18-14-26-21-15-24-7-5-17(18)21/h3-8,13-15,26H,9-12H2,1-2H3,(H,25,27,28)
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| InChIKey |
CFPNWWZAVOZYGZ-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