General Information of the Compound
Compound ID |
CP0559990
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Compound Name |
phenyl N-[3-[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-7-methoxyquinazolin-6-yl]oxypropyl]carbamate
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Structure |
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Formula |
C26H24N8O4
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Molecular Weight |
512.53
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Canonical SMILES |
COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)Oc1ccccc1
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InChI |
InChI=1S/C26H24N8O4/c1-36-21-15-20-18(14-22(21)37-13-7-12-29-26(35)38-17-8-3-2-4-9-17)24(31-16-30-20)34-25(27)32-23(33-34)19-10-5-6-11-28-19/h2-6,8-11,14-16H,7,12-13H2,1H3,(H,29,35)(H2,27,32,33)
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InChIKey |
JYFYPDLISHEQPP-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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