General Information of the Compound
| Compound ID |
CP0536598
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| Compound Name |
2-chloro-N-[[6-[3-(diethylamino)propylsulfonyl]-1,3-benzothiazol-2-yl]carbamoyl]benzamide
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| Structure |
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| Formula |
C22H25ClN4O4S2
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| Molecular Weight |
509.053
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| Canonical SMILES |
CCN(CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1
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| InChI |
InChI=1S/C22H25ClN4O4S2/c1-3-27(4-2)12-7-13-33(30,31)15-10-11-18-19(14-15)32-22(24-18)26-21(29)25-20(28)16-8-5-6-9-17(16)23/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3,(H2,24,25,26,28,29)
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| InChIKey |
MVOLTRFCSBQACZ-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