General Information of the Compound
| Compound ID |
CP0742715
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| Compound Name |
N-(2-Methoxyethyl)-4-(6-(pyrimidin-5-yl)quinazolin-2-ylamino)benzamide
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| Structure |
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| Formula |
C22H20N6O2
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| Molecular Weight |
400.442
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| Canonical SMILES |
COCCNC(=O)c1ccc(Nc2ncc3cc(-c4cncnc4)ccc3n2)cc1
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| InChI |
InChI=1S/C22H20N6O2/c1-30-9-8-25-21(29)15-2-5-19(6-3-15)27-22-26-13-17-10-16(4-7-20(17)28-22)18-11-23-14-24-12-18/h2-7,10-14H,8-9H2,1H3,(H,25,29)(H,26,27,28)
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| InChIKey |
VOXKBFQFHLZTRV-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