General Information of the Compound
| Compound ID |
CP0265840
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| Compound Name |
2-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid
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| Structure |
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| Formula |
C18H17F3N2O3
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| Molecular Weight |
366.339
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| Canonical SMILES |
OC(=O)c1cc(ccc1N1CC[C@@H](C1)OCc1ccccn1)C(F)(F)F
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| InChI |
InChI=1S/C18H17F3N2O3/c19-18(20,21)12-4-5-16(15(9-12)17(24)25)23-8-6-14(10-23)26-11-13-3-1-2-7-22-13/h1-5,7,9,14H,6,8,10-11H2,(H,24,25)/t14-/m0/s1
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| InChIKey |
NBGRERFNOKZQLO-AWEZNQCLSA-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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