General Information of the Compound
| Compound ID |
CP0377562
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| Compound Name |
2,2-dimethylpropyl 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 |
C25H30N8O4
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| Molecular Weight |
506.567
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| Canonical SMILES |
COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCNC(=O)OCC(C)(C)C
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| InChI |
InChI=1S/C25H30N8O4/c1-25(2,3)14-37-24(34)28-10-7-11-36-20-12-16-18(13-19(20)35-4)29-15-30-22(16)33-23(26)31-21(32-33)17-8-5-6-9-27-17/h5-6,8-9,12-13,15H,7,10-11,14H2,1-4H3,(H,28,34)(H2,26,31,32)
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| InChIKey |
IZZKOLHFIGOJEW-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