General Information of the Compound
| Compound ID |
CP0467094
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| Compound Name |
3-(4-chlorobenzyl)-N-(3-(benzyl(methyl)amino)propyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
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| Structure |
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| Formula |
C27H27ClN4O2S
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| Molecular Weight |
507.059
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| Canonical SMILES |
CN(CCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(Cl)cc1)c2=O)Cc1ccccc1
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| InChI |
InChI=1S/C27H27ClN4O2S/c1-31(17-19-6-3-2-4-7-19)15-5-14-29-25(33)21-10-13-23-24(16-21)30-27(35)32(26(23)34)18-20-8-11-22(28)12-9-20/h2-4,6-13,16H,5,14-15,17-18H2,1H3,(H,29,33)(H,30,35)
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| InChIKey |
JTMRKLOTJUIIGB-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