General Information of the Compound
| Compound ID |
CP0541433
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| Compound Name |
2-[4-[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]ethanol
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| Structure |
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| Formula |
C23H27N9O3
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| Molecular Weight |
477.529
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| Canonical SMILES |
COc1cc2nc(nc(-n3nc(nc3N)-c3ccccn3)c2cc1OC)N1CCN(CCO)CC1
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| InChI |
InChI=1S/C23H27N9O3/c1-34-18-13-15-17(14-19(18)35-2)26-23(31-9-7-30(8-10-31)11-12-33)28-21(15)32-22(24)27-20(29-32)16-5-3-4-6-25-16/h3-6,13-14,33H,7-12H2,1-2H3,(H2,24,27,29)
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| InChIKey |
XVMSFFFVXHECHC-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