General Information of the Compound
| Compound ID |
CP0413323
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| Compound Name |
3-(benzenesulfonyl)-N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
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| Structure |
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| Formula |
C22H27N3O4S2
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| Molecular Weight |
461.609
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| Canonical SMILES |
COc1cccc2sc(nc12)N(CCCN(C)C)C(=O)CCS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C22H27N3O4S2/c1-24(2)14-8-15-25(22-23-21-18(29-3)11-7-12-19(21)30-22)20(26)13-16-31(27,28)17-9-5-4-6-10-17/h4-7,9-12H,8,13-16H2,1-3H3
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| InChIKey |
NTLRBRADFHKEGP-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: PT06124, Paired box protein Pax-8