General Information of the Compound
| Compound ID |
CP0329072
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| Compound Name |
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N'-(6-methyl-1,3-benzothiazol-2-yl)benzohydrazide
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| Structure |
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| Formula |
C24H22N4O3S2
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| Molecular Weight |
478.599
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| Canonical SMILES |
Cc1ccc2nc(NNC(=O)c3ccc(cc3)S(=O)(=O)N3CCc4ccccc4C3)sc2c1
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| InChI |
InChI=1S/C24H22N4O3S2/c1-16-6-11-21-22(14-16)32-24(25-21)27-26-23(29)18-7-9-20(10-8-18)33(30,31)28-13-12-17-4-2-3-5-19(17)15-28/h2-11,14H,12-13,15H2,1H3,(H,25,27)(H,26,29)
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| InChIKey |
IJDUUULVTIQJGG-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