General Information of the Compound
| Compound ID |
CP0903889
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| Compound Name |
(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)(7-oxa-2-azaspiro[3.5]nonan-2-yl)methanone hydrochloride
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| Structure |
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| Formula |
C21H23ClF3N3O3
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| Molecular Weight |
457.88
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)N3CC4(CCOCC4)C3)c2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C21H22F3N3O3.ClH/c22-21(23,24)17-8-14(11-25)9-18(26-17)30-16-3-1-2-15(10-16)19(28)27-12-20(13-27)4-6-29-7-5-20;/h1-3,8-10H,4-7,11-13,25H2;1H
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| InChIKey |
HAGOIKUHEYTEKN-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