General Information of the Compound
| Compound ID |
CP0961713
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| Compound Name |
(R)-(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)(3-(hydroxymethyl)pyrrolidin-1-yl)methanone hydrochloride
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| Structure |
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| Formula |
C19H21ClF3N3O3
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| Molecular Weight |
431.842
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)N3CC[C@@H](CO)C3)c2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C19H20F3N3O3.ClH/c20-19(21,22)16-6-13(9-23)7-17(24-16)28-15-3-1-2-14(8-15)18(27)25-5-4-12(10-25)11-26;/h1-3,6-8,12,26H,4-5,9-11,23H2;1H/t12-;/m1./s1
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| InChIKey |
FYNXCGWUQNTHKF-UTONKHPSSA-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