General Information of the Compound
| Compound ID |
CP0545956
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| Compound Name |
2-[4-[[(1-methyltriazolo[4,5-h]quinazolin-6-yl)amino]methyl]phenyl]propan-2-ol
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| Structure |
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| Formula |
C19H20N6O
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| Molecular Weight |
348.41
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| Canonical SMILES |
Cn1nnc2ccc3c(NCc4ccc(cc4)C(C)(C)O)ncnc3c12
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| InChI |
InChI=1S/C19H20N6O/c1-19(2,26)13-6-4-12(5-7-13)10-20-18-14-8-9-15-17(25(3)24-23-15)16(14)21-11-22-18/h4-9,11,26H,10H2,1-3H3,(H,20,21,22)
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| InChIKey |
XQBIHYUARZJBEH-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