General Information of the Compound
| Compound ID |
CP0484902
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| Compound Name |
3-(4-chlorobenzyl)-4-oxo-N-(3-(piperidin-1-yl)propyl)-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
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| Structure |
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| Formula |
C24H27ClN4O2S
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| Molecular Weight |
471.026
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| Canonical SMILES |
Clc1ccc(Cn2c(=S)[nH]c3cc(ccc3c2=O)C(=O)NCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C24H27ClN4O2S/c25-19-8-5-17(6-9-19)16-29-23(31)20-10-7-18(15-21(20)27-24(29)32)22(30)26-11-4-14-28-12-2-1-3-13-28/h5-10,15H,1-4,11-14,16H2,(H,26,30)(H,27,32)
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| InChIKey |
CVLYHSZLPSAYEW-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