General Information of the Compound
| Compound ID |
CP0959182
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| Compound Name |
(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)(2,5-dihydro-1H-pyrrol-1-yl)methanone hydrochloride
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| Structure |
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| Formula |
C18H17ClF3N3O2
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| Molecular Weight |
399.8
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)N3CC=CC3)c2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C18H16F3N3O2.ClH/c19-18(20,21)15-8-12(11-22)9-16(23-15)26-14-5-3-4-13(10-14)17(25)24-6-1-2-7-24;/h1-5,8-10H,6-7,11,22H2;1H
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| InChIKey |
AWLUZQUNDXEQPD-UHFFFAOYSA-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