General Information of the Compound
| Compound ID |
CP0054338
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| Compound Name |
CAS No.:1352792-74-5
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| Synonyms |
RDEA3170
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| Structure |
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| Formula |
C20H16N2O2S
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| Molecular Weight |
348.427
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| Canonical SMILES |
CC(C)(Sc1ccncc1-c1ccc(C#N)c2ccccc12)C(O)=O
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| InChI |
InChI=1S/C20H16N2O2S/c1-20(2,19(23)24)25-18-9-10-22-12-17(18)16-8-7-13(11-21)14-5-3-4-6-15(14)16/h3-10,12H,1-2H3,(H,23,24)
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| InChIKey |
YYBOLPLTQDKXPM-UHFFFAOYSA-N
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| CAS |
1352792-74-5
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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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Clinical Information about the Compound