General Information of the Compound
| Compound ID |
CP0071202
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| Compound Name |
2-(2,5-dimethyl-3-phenylsulfanylindol-1-yl)acetic acid
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| Structure |
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| Formula |
C18H17NO2S
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| Molecular Weight |
311.406
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| Canonical SMILES |
Cc1c(Sc2ccccc2)c2cc(C)ccc2n1CC(O)=O
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| InChI |
InChI=1S/C18H17NO2S/c1-12-8-9-16-15(10-12)18(13(2)19(16)11-17(20)21)22-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,20,21)
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| InChIKey |
PDLCIHCFWCWZDA-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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