General Information of the Compound
| Compound ID |
CP0287180
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| Compound Name |
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzohydrazide
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| Structure |
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| Formula |
C25H24N4O3S2
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| Molecular Weight |
492.626
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| Canonical SMILES |
Cc1cc(C)c2sc(NNC(=O)c3ccc(cc3)S(=O)(=O)N3CCc4ccccc4C3)nc2c1
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| InChI |
InChI=1S/C25H24N4O3S2/c1-16-13-17(2)23-22(14-16)26-25(33-23)28-27-24(30)19-7-9-21(10-8-19)34(31,32)29-12-11-18-5-3-4-6-20(18)15-29/h3-10,13-14H,11-12,15H2,1-2H3,(H,26,28)(H,27,30)
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| InChIKey |
FXRWTFIOSCXZIS-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