General Information of the Compound
| Compound ID |
CP0510393
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| Compound Name |
4-[6-Methoxy-7-(3-[1,2,3]triazol-2-yl-propoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
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| Structure |
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| Formula |
C28H34N8O4
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| Molecular Weight |
546.632
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCn1nccn1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C28H34N8O4/c1-20(2)40-22-7-5-21(6-8-22)33-28(37)35-14-12-34(13-15-35)27-23-17-25(38-3)26(18-24(23)29-19-30-27)39-16-4-11-36-31-9-10-32-36/h5-10,17-20H,4,11-16H2,1-3H3,(H,33,37)
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| InChIKey |
GMDBDZZVUXLNGG-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