General Information of the Compound
Compound ID |
CP0512155
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Compound Name |
12'-bromo-4'-(3,4-dimethoxyphenyl)-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 |
C23H26BrN3O3
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Molecular Weight |
472.383
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Canonical SMILES |
COc1ccc(cc1OC)C1=NN2C(C1)c1cc(Br)ccc1OC21CCN(C)CC1
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InChI |
InChI=1S/C23H26BrN3O3/c1-26-10-8-23(9-11-26)27-19(17-13-16(24)5-7-20(17)30-23)14-18(25-27)15-4-6-21(28-2)22(12-15)29-3/h4-7,12-13,19H,8-11,14H2,1-3H3
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InChIKey |
UUFKTSTWJCGRDH-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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