General Information of the Compound
| Compound ID |
CP0505344
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| Compound Name |
4-{7-[3-(4,4-Difluoro-piperidin-1-yl)-propoxy]-6-methoxy-quinazolin-4-yl}-piperazine-1-carboxylic acid (4-cyano-phenyl)-amide
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| Structure |
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| Formula |
C29H33F2N7O3
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| Molecular Weight |
565.625
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCC(F)(F)CC1)N1CCN(CC1)C(=O)Nc1ccc(cc1)C#N
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| InChI |
InChI=1S/C29H33F2N7O3/c1-40-25-17-23-24(18-26(25)41-16-2-9-36-10-7-29(30,31)8-11-36)33-20-34-27(23)37-12-14-38(15-13-37)28(39)35-22-5-3-21(19-32)4-6-22/h3-6,17-18,20H,2,7-16H2,1H3,(H,35,39)
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| InChIKey |
WWFYUBCLRABWEV-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