General Information of the Compound
| Compound ID |
CP0080535
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| Compound Name |
5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-naphthalen-1-ylsulfonylindole
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| Structure |
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| Formula |
C24H21FN2O2S
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| Molecular Weight |
420.509
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| Canonical SMILES |
CN1CCC(=CC1)c1cn(c2ccc(F)cc12)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C24H21FN2O2S/c1-26-13-11-18(12-14-26)22-16-27(23-10-9-19(25)15-21(22)23)30(28,29)24-8-4-6-17-5-2-3-7-20(17)24/h2-11,15-16H,12-14H2,1H3
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| InChIKey |
CGSFFLVTUXMRJK-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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