General Information of the Compound
| Compound ID |
CP0070748
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| Compound Name |
3-(4-(2,4-dichlorophenoxy)-1-methyl-1H-indol-3-yl)-N-(3,4-difluorophenylsulfonyl)acrylamide
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| Structure |
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| Formula |
C24H16Cl2F2N2O4S
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| Molecular Weight |
537.371
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| Canonical SMILES |
Cn1cc(\C=C\C(=O)NS(=O)(=O)c2ccc(F)c(F)c2)c2c(Oc3ccc(Cl)cc3Cl)cccc12
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| InChI |
InChI=1S/C24H16Cl2F2N2O4S/c1-30-13-14(5-10-23(31)29-35(32,33)16-7-8-18(27)19(28)12-16)24-20(30)3-2-4-22(24)34-21-9-6-15(25)11-17(21)26/h2-13H,1H3,(H,29,31)/b10-5+
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| InChIKey |
RJUJTNQHKHWOLR-BJMVGYQFSA-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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