General Information of the Compound
| Compound ID |
CP0476036
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| Compound Name |
2-chloro-N-[[6-[3-(4-methylpiperazin-1-yl)propylsulfonyl]-1,3-benzothiazol-2-yl]carbamoyl]benzamide
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| Structure |
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| Formula |
C23H26ClN5O4S2
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| Molecular Weight |
536.079
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| Canonical SMILES |
CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4ccccc4Cl)sc3c2)CC1
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| InChI |
InChI=1S/C23H26ClN5O4S2/c1-28-10-12-29(13-11-28)9-4-14-35(32,33)16-7-8-19-20(15-16)34-23(25-19)27-22(31)26-21(30)17-5-2-3-6-18(17)24/h2-3,5-8,15H,4,9-14H2,1H3,(H2,25,26,27,30,31)
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| InChIKey |
BGMODZIUQQKLRO-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