General Information of the Compound
| Compound ID |
CP0531974
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| Compound Name |
12'-bromo-4'-[2-(difluoromethoxy)phenyl]-1-methyl-8'-oxa-5',6'-diazaspiro[piperidine-4,7'-tricyclo[7.4.0.0^{2,6}]tridecane]-1'(13'),4',9',11'-tetraene
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| Structure |
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| Formula |
C22H22BrF2N3O2
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| Molecular Weight |
478.337
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| Canonical SMILES |
CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccccc1OC(F)F
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| InChI |
InChI=1S/C22H22BrF2N3O2/c1-27-10-8-22(9-11-27)28-18(16-12-14(23)6-7-20(16)30-22)13-17(26-28)15-4-2-3-5-19(15)29-21(24)25/h2-7,12,18,21H,8-11,13H2,1H3
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| InChIKey |
JDWRESMQWLJNBI-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