General Information of the Compound
| Compound ID |
CP0433064
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| Compound Name |
N-[4-[3-(dimethylamino)propylcarbamothioylamino]-2,5-diethoxyphenyl]-4-methylbenzamide
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| Structure |
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| Formula |
C24H34N4O3S
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| Molecular Weight |
458.628
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| Canonical SMILES |
CCOc1cc(NC(=O)c2ccc(C)cc2)c(OCC)cc1NC(=S)NCCCN(C)C
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| InChI |
InChI=1S/C24H34N4O3S/c1-6-30-21-16-20(27-24(32)25-13-8-14-28(4)5)22(31-7-2)15-19(21)26-23(29)18-11-9-17(3)10-12-18/h9-12,15-16H,6-8,13-14H2,1-5H3,(H,26,29)(H2,25,27,32)
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| InChIKey |
IPLVBVAGECHINQ-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