General Information of the Compound
| Compound ID |
CP0570207
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| Compound Name |
2-chloro-4-ethoxy-N-[[6-[(4-methylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-yl]carbamoyl]benzamide
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| Structure |
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| Formula |
C23H26ClN5O3S
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| Molecular Weight |
488.013
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| Canonical SMILES |
CCOc1ccc(C(=O)NC(=O)Nc2nc3ccc(CN4CCN(C)CC4)cc3s2)c(Cl)c1
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| InChI |
InChI=1S/C23H26ClN5O3S/c1-3-32-16-5-6-17(18(24)13-16)21(30)26-22(31)27-23-25-19-7-4-15(12-20(19)33-23)14-29-10-8-28(2)9-11-29/h4-7,12-13H,3,8-11,14H2,1-2H3,(H2,25,26,27,30,31)
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| InChIKey |
CKUPVWMDKZJWMT-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