General Information of the Compound
| Compound ID |
CP0464384
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| Compound Name |
3-(4-chlorobenzyl)-4-oxo-N-(3-(pyrrolidin-1-yl)propyl)-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
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| Structure |
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| Formula |
C23H25ClN4O2S
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| Molecular Weight |
456.999
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| Canonical SMILES |
Clc1ccc(Cn2c(=S)[nH]c3cc(ccc3c2=O)C(=O)NCCCN2CCCC2)cc1
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| InChI |
InChI=1S/C23H25ClN4O2S/c24-18-7-4-16(5-8-18)15-28-22(30)19-9-6-17(14-20(19)26-23(28)31)21(29)25-10-3-13-27-11-1-2-12-27/h4-9,14H,1-3,10-13,15H2,(H,25,29)(H,26,31)
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| InChIKey |
QXVPBHZEHQOJTJ-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