General Information of the Compound
| Compound ID |
CP0278644
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| Compound Name |
N-(2H-benzotriazol-5-yl)-2-(6-methylpyridin-2-yl)quinazolin-4-amine
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| Structure |
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| Formula |
C20H15N7
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| Molecular Weight |
353.389
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| Canonical SMILES |
Cc1cccc(n1)-c1nc(Nc2ccc3nn[nH]c3c2)c2ccccc2n1
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| InChI |
InChI=1S/C20H15N7/c1-12-5-4-8-17(21-12)20-23-15-7-3-2-6-14(15)19(24-20)22-13-9-10-16-18(11-13)26-27-25-16/h2-11H,1H3,(H,22,23,24)(H,25,26,27)
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| InChIKey |
XXWPJNRDUURTHE-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