General Information of the Compound
| Compound ID |
CP0209442
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| Compound Name |
6-(1H-Benzoimidazol-2-ylsulfanylmethyl)-2-(4-methyl-quinazolin-2-ylamino)-pyrimidin-4-ol
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| Structure |
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| Formula |
C21H17N7OS
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| Molecular Weight |
415.482
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| Canonical SMILES |
Cc1nc(Nc2nc(CSc3nc4ccccc4[nH]3)cc(=O)[nH]2)nc2ccccc12
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| InChI |
InChI=1S/C21H17N7OS/c1-12-14-6-2-3-7-15(14)24-19(22-12)28-20-23-13(10-18(29)27-20)11-30-21-25-16-8-4-5-9-17(16)26-21/h2-10H,11H2,1H3,(H,25,26)(H2,22,23,24,27,28,29)
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| InChIKey |
BZICWXZEDPRCOA-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8