General Information of the Compound
| Compound ID |
CP0072040
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| Compound Name |
6-(1H-indol-3-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-4-amine
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| Structure |
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| Formula |
C23H24N6
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| Molecular Weight |
384.487
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2cc(ncn2)-c2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C23H24N6/c1-28-10-12-29(13-11-28)18-8-6-17(7-9-18)27-23-14-22(25-16-26-23)20-15-24-21-5-3-2-4-19(20)21/h2-9,14-16,24H,10-13H2,1H3,(H,25,26,27)
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| InChIKey |
BMFODXAZKLMRNP-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