General Information of the Compound
| Compound ID |
CP0464569
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| Compound Name |
12'-bromo-4'-(4-methylphenyl)-1-propyl-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 |
C24H28BrN3O
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| Molecular Weight |
454.412
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| Canonical SMILES |
CCCN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1ccc(C)cc1
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| InChI |
InChI=1S/C24H28BrN3O/c1-3-12-27-13-10-24(11-14-27)28-22(20-15-19(25)8-9-23(20)29-24)16-21(26-28)18-6-4-17(2)5-7-18/h4-9,15,22H,3,10-14,16H2,1-2H3
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| InChIKey |
OUZXEMJJARTDEQ-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