General Information of the Compound
| Compound ID |
CP0502112
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| Compound Name |
4-{7-[2-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-ethoxy]-6-methoxy-quinazolin-4-yl}-piperazine-1-carboxylic acid (4-cyano-phenyl)-amide
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| Structure |
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| Formula |
C27H31N7O5S
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| Molecular Weight |
565.656
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCN1CCS(=O)(=O)CC1)N1CCN(CC1)C(=O)Nc1ccc(cc1)C#N
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| InChI |
InChI=1S/C27H31N7O5S/c1-38-24-16-22-23(17-25(24)39-13-10-32-11-14-40(36,37)15-12-32)29-19-30-26(22)33-6-8-34(9-7-33)27(35)31-21-4-2-20(18-28)3-5-21/h2-5,16-17,19H,6-15H2,1H3,(H,31,35)
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| InChIKey |
LJEDLWDKKPCLSE-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