General Information of the Compound
| Compound ID |
CP0467096
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| Compound Name |
3-(4-chlorobenzyl)-N-(2-(butyl(methyl)amino)ethyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
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| Structure |
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| Formula |
C23H27ClN4O2S
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| Molecular Weight |
459.015
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| Canonical SMILES |
CCCCN(C)CCNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(Cl)cc1)c2=O
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| InChI |
InChI=1S/C23H27ClN4O2S/c1-3-4-12-27(2)13-11-25-21(29)17-7-10-19-20(14-17)26-23(31)28(22(19)30)15-16-5-8-18(24)9-6-16/h5-10,14H,3-4,11-13,15H2,1-2H3,(H,25,29)(H,26,31)
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| InChIKey |
DALITDJYFXCYJY-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