General Information of the Compound
| Compound ID |
CP0901642
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| Compound Name |
8-(3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)benzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride
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| Structure |
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| Formula |
C21H22ClF3N4O4
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| Molecular Weight |
486.878
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc(C(=O)N3CCC4(CC3)CNC(=O)O4)c2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C21H21F3N4O4.ClH/c22-21(23,24)16-8-13(11-25)9-17(27-16)31-15-3-1-2-14(10-15)18(29)28-6-4-20(5-7-28)12-26-19(30)32-20;/h1-3,8-10H,4-7,11-12,25H2,(H,26,30);1H
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| InChIKey |
HMEQKZJXEMBDEX-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