General Information of the Compound
| Compound ID |
CP0402361
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| Compound Name |
N-(1-benzothiophen-2-ylcarbamoyl)-2-chloro-4-ethoxy-5-morpholin-4-ylbenzamide
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| Structure |
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| Formula |
C22H22ClN3O4S
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| Molecular Weight |
459.955
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| Canonical SMILES |
CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)NC(=O)Nc1cc2ccccc2s1
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| InChI |
InChI=1S/C22H22ClN3O4S/c1-2-30-18-13-16(23)15(12-17(18)26-7-9-29-10-8-26)21(27)25-22(28)24-20-11-14-5-3-4-6-19(14)31-20/h3-6,11-13H,2,7-10H2,1H3,(H2,24,25,27,28)
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| InChIKey |
PGIMTMGNGANNLT-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