General Information of the Compound
| Compound ID |
CP0508534
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| Compound Name |
N-[3-[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-7-methoxyquinazolin-6-yl]oxypropyl]-2,2,2-trifluoroacetamide
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| Structure |
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| Formula |
C21H19F3N8O3
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| Molecular Weight |
488.43
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| Canonical SMILES |
COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)C(F)(F)F
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| InChI |
InChI=1S/C21H19F3N8O3/c1-34-15-10-14-12(9-16(15)35-8-4-7-27-19(33)21(22,23)24)18(29-11-28-14)32-20(25)30-17(31-32)13-5-2-3-6-26-13/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,27,33)(H2,25,30,31)
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| InChIKey |
BZGLWWUEKRFOAK-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