General Information of the Compound
| Compound ID |
CP0134715
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| Compound Name |
N-[5-(2-chlorobenzoyl)-4-(3-chlorophenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C27H21Cl2NO4S2
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| Molecular Weight |
558.508
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(c(s2)C(=O)c2ccccc2Cl)-c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C27H21Cl2NO4S2/c1-2-36(33,34)20-12-10-17(11-13-20)14-24(31)30-25-16-22(18-6-5-7-19(28)15-18)27(35-25)26(32)21-8-3-4-9-23(21)29/h3-13,15-16H,2,14H2,1H3,(H,30,31)
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| InChIKey |
PDIFKINHSRCGJM-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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