General Information of the Compound
| Compound ID |
CP0433659
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| Compound Name |
3-(4-chlorobenzyl)-N-(3-(4-ethylpiperazin-1-yl)propyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
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| Structure |
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| Formula |
C25H30ClN5O2S
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| Molecular Weight |
500.068
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| Canonical SMILES |
CCN1CCN(CCCNC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccc(Cl)cc2)c3=O)CC1
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| InChI |
InChI=1S/C25H30ClN5O2S/c1-2-29-12-14-30(15-13-29)11-3-10-27-23(32)19-6-9-21-22(16-19)28-25(34)31(24(21)33)17-18-4-7-20(26)8-5-18/h4-9,16H,2-3,10-15,17H2,1H3,(H,27,32)(H,28,34)
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| InChIKey |
RBOVXEFKHMMWCB-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