General Information of the Compound
| Compound ID |
CP0531975
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| Compound Name |
12'-bromo-4'-(2-methoxyphenyl)-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 |
C22H24BrN3O2
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| Molecular Weight |
442.357
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| Canonical SMILES |
COc1ccccc1C1=NN2C(C1)c1cc(Br)ccc1OC21CCN(C)CC1
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| InChI |
InChI=1S/C22H24BrN3O2/c1-25-11-9-22(10-12-25)26-19(17-13-15(23)7-8-21(17)28-22)14-18(24-26)16-5-3-4-6-20(16)27-2/h3-8,13,19H,9-12,14H2,1-2H3
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| InChIKey |
FXHJPAYQNLCTQC-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