General Information of the Compound
| Compound ID |
CP0504932
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| Compound Name |
tert-butyl N-[4-[4-(5-amino-3-pyridin-2-yl-1,2,4-triazol-1-yl)-7-methoxyquinazolin-6-yl]oxybutyl]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)c2cc1OCCCCNC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C25H30N8O4/c1-25(2,3)37-24(34)28-11-7-8-12-36-20-13-16-18(14-19(20)35-4)29-15-30-22(16)33-23(26)31-21(32-33)17-9-5-6-10-27-17/h5-6,9-10,13-15H,7-8,11-12H2,1-4H3,(H,28,34)(H2,26,31,32)
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| InChIKey |
DCCZNCXKSZEOAT-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