General Information of the Compound
| Compound ID |
CP0217397
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| Compound Name |
2-(7-Methoxy-4-methyl-quinazolin-2-ylamino)-6-phenyl-pyrimidin-4-ol
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| Structure |
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| Formula |
C20H17N5O2
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| Molecular Weight |
359.389
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| Canonical SMILES |
COc1ccc2c(C)nc(Nc3nc(cc(=O)[nH]3)-c3ccccc3)nc2c1
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| InChI |
InChI=1S/C20H17N5O2/c1-12-15-9-8-14(27-2)10-17(15)23-19(21-12)25-20-22-16(11-18(26)24-20)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,21,22,23,24,25,26)
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| InChIKey |
NVMIBYLXLVBCEV-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: PT06124, Paired box protein Pax-8