General Information of the Compound
| Compound ID |
CP0275058
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| Compound Name |
2-[3-(4-chlorophenyl)sulfanyl-2,5-dimethylindol-1-yl]acetic acid
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| Structure |
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| Formula |
C18H16ClNO2S
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| Molecular Weight |
345.851
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| Canonical SMILES |
Cc1c(Sc2ccc(Cl)cc2)c2cc(C)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C18H16ClNO2S/c1-11-3-8-16-15(9-11)18(12(2)20(16)10-17(21)22)23-14-6-4-13(19)5-7-14/h3-9H,10H2,1-2H3,(H,21,22)
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| InChIKey |
BVKCMKBKPMUHOY-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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