General Information of the Compound
| Compound ID |
CP0536597
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| Compound Name |
2-chloro-N-[[6-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]-1,3-benzothiazol-2-yl]carbamoyl]benzamide
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| Structure |
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| Formula |
C22H24ClN5O4S2
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| Molecular Weight |
522.052
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| Canonical SMILES |
CN1CCN(CCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1
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| InChI |
InChI=1S/C22H24ClN5O4S2/c1-27-8-10-28(11-9-27)12-13-34(31,32)15-6-7-18-19(14-15)33-22(24-18)26-21(30)25-20(29)16-4-2-3-5-17(16)23/h2-7,14H,8-13H2,1H3,(H2,24,25,26,29,30)
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| InChIKey |
LCQUSJOCGWZBHQ-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