General Information of the Compound
| Compound ID |
CP0903891
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| Compound Name |
(3R,4R)-1-(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)benzoyl)-4-fluoropyrrolidin-3-ylmethanesulfonate hydrochloride
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| Structure |
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| Formula |
C19H20ClF4N3O5S
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| Molecular Weight |
513.897
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| Canonical SMILES |
CS(=O)(=O)O[C@@H]1CN(C(=O)c2cccc(Oc3cc(CN)cc(C(F)(F)F)n3)c2)C[C@H]1F.Cl
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| InChI |
InChI=1S/C19H19F4N3O5S.ClH/c1-32(28,29)31-15-10-26(9-14(15)20)18(27)12-3-2-4-13(7-12)30-17-6-11(8-24)5-16(25-17)19(21,22)23;/h2-7,14-15H,8-10,24H2,1H3;1H/t14-,15-;/m1./s1
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| InChIKey |
YBHHJBSPWVQUHJ-CTHHTMFSSA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound