General Information of the Compound
| Compound ID |
CP0511052
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| Compound Name |
3-(4-chlorobenzyl)-N-(3-(azepan-1-yl)propyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
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| Structure |
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| Formula |
C25H29ClN4O2S
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| Molecular Weight |
485.053
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| Canonical SMILES |
Clc1ccc(Cn2c(=S)[nH]c3cc(ccc3c2=O)C(=O)NCCCN2CCCCCC2)cc1
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| InChI |
InChI=1S/C25H29ClN4O2S/c26-20-9-6-18(7-10-20)17-30-24(32)21-11-8-19(16-22(21)28-25(30)33)23(31)27-12-5-15-29-13-3-1-2-4-14-29/h6-11,16H,1-5,12-15,17H2,(H,27,31)(H,28,33)
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| InChIKey |
UZZPIJHVKRFWSO-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