General Information of the Compound
| Compound ID |
CP0377563
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| Compound Name |
hexyl 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 |
C26H32N8O4
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| Molecular Weight |
520.594
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| Canonical SMILES |
CCCCCCOC(=O)NCCCOc1cc2c(ncnc2cc1OC)-n1nc(nc1N)-c1ccccn1
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| InChI |
InChI=1S/C26H32N8O4/c1-3-4-5-8-13-38-26(35)29-12-9-14-37-22-15-18-20(16-21(22)36-2)30-17-31-24(18)34-25(27)32-23(33-34)19-10-6-7-11-28-19/h6-7,10-11,15-17H,3-5,8-9,12-14H2,1-2H3,(H,29,35)(H2,27,32,33)
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| InChIKey |
YGGWVVHHTCFQCL-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