General Information of the Compound
| Compound ID |
CP0968624
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| Compound Name |
(R)-1-(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)benzoyl)pyrrolidine-2-carboxylic acid hydrochloride
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| Structure |
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| Formula |
C19H19ClF3N3O4
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| Molecular Weight |
445.825
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)N3CCC[C@@H]3C(=O)O)c2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C19H18F3N3O4.ClH/c20-19(21,22)15-7-11(10-23)8-16(24-15)29-13-4-1-3-12(9-13)17(26)25-6-2-5-14(25)18(27)28;/h1,3-4,7-9,14H,2,5-6,10,23H2,(H,27,28);1H/t14-;/m1./s1
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| InChIKey |
CCNXGLAVBNFNOY-PFEQFJNWSA-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