General Information of the Compound
| Compound ID |
CP0331846
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| Compound Name |
2-[5-chloro-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid
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| Structure |
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| Formula |
C17H13Cl2NO2S
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| Molecular Weight |
366.269
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| Canonical SMILES |
Cc1c(Sc2ccc(Cl)cc2)c2cc(Cl)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C17H13Cl2NO2S/c1-10-17(23-13-5-2-11(18)3-6-13)14-8-12(19)4-7-15(14)20(10)9-16(21)22/h2-8H,9H2,1H3,(H,21,22)
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| InChIKey |
XYCNWYSSGJBPJP-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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