General Information of the Compound
| Compound ID |
CP0016899
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| Compound Name |
(R)-2-(4-fluorophenoxy)-N-(1-(thiophen-2-yl)ethyl)nicotinamide
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| Structure |
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| Formula |
C18H15FN2O2S
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| Molecular Weight |
342.395
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| Canonical SMILES |
C[C@@H](NC(=O)c1cccnc1Oc1ccc(F)cc1)c1cccs1
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| InChI |
InChI=1S/C18H15FN2O2S/c1-12(16-5-3-11-24-16)21-17(22)15-4-2-10-20-18(15)23-14-8-6-13(19)7-9-14/h2-12H,1H3,(H,21,22)/t12-/m1/s1
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| InChIKey |
LRQBXHMVEXEFBO-GFCCVEGCSA-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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