General Information of the Compound
| Compound ID |
CP0455022
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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-cyano-phenyl)-amide
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| Structure |
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| Formula |
C25H25N9O3
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| Molecular Weight |
499.535
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCn1nccn1)N1CCN(CC1)C(=O)Nc1ccc(cc1)C#N
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| InChI |
InChI=1S/C25H25N9O3/c1-36-22-14-20-21(15-23(22)37-13-12-34-29-6-7-30-34)27-17-28-24(20)32-8-10-33(11-9-32)25(35)31-19-4-2-18(16-26)3-5-19/h2-7,14-15,17H,8-13H2,1H3,(H,31,35)
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| InChIKey |
JRNFYSGUKJTVJL-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