General Information of the Compound
| Compound ID |
CP0439326
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| Compound Name |
4-[6-Methoxy-7-(2-[1,2,3]triazol-2-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
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| Structure |
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| Formula |
C27H32N8O4
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| Molecular Weight |
532.605
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCn1nccn1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C27H32N8O4/c1-19(2)39-21-6-4-20(5-7-21)32-27(36)34-12-10-33(11-13-34)26-22-16-24(37-3)25(17-23(22)28-18-29-26)38-15-14-35-30-8-9-31-35/h4-9,16-19H,10-15H2,1-3H3,(H,32,36)
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| InChIKey |
ARAMFRZTCCWJOB-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