General Information of the Compound
| Compound ID |
CP0430307
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| Compound Name |
4-(7-Ethoxy-6-methoxy-quinazolin-4-yl)-piperazine-1-carbothioic acid benzylamide
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| Structure |
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| Formula |
C23H27N5O2S
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| Molecular Weight |
437.569
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| Canonical SMILES |
CCOc1cc2ncnc(N3CCN(CC3)C(=S)NCc3ccccc3)c2cc1OC
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| InChI |
InChI=1S/C23H27N5O2S/c1-3-30-21-14-19-18(13-20(21)29-2)22(26-16-25-19)27-9-11-28(12-10-27)23(31)24-15-17-7-5-4-6-8-17/h4-8,13-14,16H,3,9-12,15H2,1-2H3,(H,24,31)
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| InChIKey |
WGDQJKQQPFXRBI-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