General Information of the Compound
| Compound ID |
CP0442210
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| Compound Name |
3-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
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| Structure |
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| Formula |
C22H27N3O3S2
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| Molecular Weight |
445.61
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| Canonical SMILES |
CN(C)CCCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2c(C)cccc2s1
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| InChI |
InChI=1S/C22H27N3O3S2/c1-17-9-7-12-19-21(17)23-22(29-19)25(15-8-14-24(2)3)20(26)13-16-30(27,28)18-10-5-4-6-11-18/h4-7,9-12H,8,13-16H2,1-3H3
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| InChIKey |
VFPQTKCMEUCEOP-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8