General Information of the Compound
| Compound ID |
CP0539969
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| Compound Name |
2-chloro-4-ethoxy-N-[[6-[(4-methylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-yl]carbamoyl]-5-pyrrolidin-1-ylbenzamide
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| Structure |
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| Formula |
C27H33ClN6O3S
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| Molecular Weight |
557.12
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| Canonical SMILES |
CCOc1cc(Cl)c(cc1N1CCCC1)C(=O)NC(=O)Nc1nc2ccc(CN3CCN(C)CC3)cc2s1
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| InChI |
InChI=1S/C27H33ClN6O3S/c1-3-37-23-16-20(28)19(15-22(23)34-8-4-5-9-34)25(35)30-26(36)31-27-29-21-7-6-18(14-24(21)38-27)17-33-12-10-32(2)11-13-33/h6-7,14-16H,3-5,8-13,17H2,1-2H3,(H2,29,30,31,35,36)
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| InChIKey |
WNWWAQFBWXVQOO-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