General Information of the Compound
| Compound ID |
CP0517572
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| Compound Name |
2-chloro-4-methyl-N-[[6-(1-methylpiperidin-4-yl)sulfonyl-1,3-benzothiazol-2-yl]carbamoyl]-5-pyrazol-1-ylbenzamide
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| Structure |
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| Formula |
C25H25ClN6O4S2
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| Molecular Weight |
573.1
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| Canonical SMILES |
CN1CCC(CC1)S(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(c(C)cc3Cl)-n3cccn3)sc2c1
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| InChI |
InChI=1S/C25H25ClN6O4S2/c1-15-12-19(26)18(14-21(15)32-9-3-8-27-32)23(33)29-24(34)30-25-28-20-5-4-17(13-22(20)37-25)38(35,36)16-6-10-31(2)11-7-16/h3-5,8-9,12-14,16H,6-7,10-11H2,1-2H3,(H2,28,29,30,33,34)
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| InChIKey |
HMHVCJRMBBKJSR-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