General Information of the Compound
| Compound ID |
CP0546918
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| Compound Name |
N-[2-[4-(azetidin-1-ylsulfonyl)phenyl]ethyl]-N-[(5-chloro-2-propoxyphenyl)methyl]-1-benzothiophene-3-carboxamide
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| Structure |
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| Formula |
C30H31ClN2O4S2
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| Molecular Weight |
583.175
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| Canonical SMILES |
CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)N1CCC1)C(=O)c1csc2ccccc12
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| InChI |
InChI=1S/C30H31ClN2O4S2/c1-2-18-37-28-13-10-24(31)19-23(28)20-32(30(34)27-21-38-29-7-4-3-6-26(27)29)17-14-22-8-11-25(12-9-22)39(35,36)33-15-5-16-33/h3-4,6-13,19,21H,2,5,14-18,20H2,1H3
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| InChIKey |
CKHJLQWMZRCXKO-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