General Information of the Compound
| Compound ID |
CP0421291
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| Compound Name |
12'-bromo-1-methyl-4'-(naphthalen-1-yl)-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 |
C25H24BrN3O
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| Molecular Weight |
462.391
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| Canonical SMILES |
CN1CCC2(CC1)Oc1ccc(Br)cc1C1CC(=NN21)c1cccc2ccccc12
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| InChI |
InChI=1S/C25H24BrN3O/c1-28-13-11-25(12-14-28)29-23(21-15-18(26)9-10-24(21)30-25)16-22(27-29)20-8-4-6-17-5-2-3-7-19(17)20/h2-10,15,23H,11-14,16H2,1H3
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| InChIKey |
LWRNEFVZZGSMQO-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