General Information of the Compound
| Compound ID |
CP0633393
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| Compound Name |
[(20-{[dimethyl(prop-2-en-1-yl)azaniumyl]methyl}-3,13-diazapentacyclo[11.7.0.0^{3,11}.0^{4,9}.0^{14,19}]icosa-1(20),4,6,8,10,14(19),15,17-octaen-10-yl)methyl]dimethylprop-2-en-1-ylazanium dibromide
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| Structure |
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| Formula |
C30H38Br2N4
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| Molecular Weight |
614.47
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| Canonical SMILES |
C=CC[N+](C)(C)Cc1c2n(c3ccccc13)Cc1c(C[N+](C)(C)CC=C)c3ccccc3n1C2.[Br-].[Br-]
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| InChI |
InChI=1S/C30H38N4.2BrH/c1-7-17-33(3,4)21-25-23-13-9-11-15-27(23)31-20-30-26(22-34(5,6)18-8-2)24-14-10-12-16-28(24)32(30)19-29(25)31;;/h7-16H,1-2,17-22H2,3-6H3;2*1H/q+2;;/p-2
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| InChIKey |
OSQNMWDGHFIAOM-UHFFFAOYSA-L
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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
Protein ID: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT05068, Glycine receptor subunit alpha-1