General Information of the Compound
| Compound ID |
CP0400006
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| Compound Name |
4-benzyl-12-bromo-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
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| Structure |
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| Formula |
C21H21BrN2
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| Molecular Weight |
381.317
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| Canonical SMILES |
Brc1ccc2n3CCN(Cc4ccccc4)C4CCCc(c34)c2c1
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| InChI |
InChI=1S/C21H21BrN2/c22-16-9-10-19-18(13-16)17-7-4-8-20-21(17)24(19)12-11-23(20)14-15-5-2-1-3-6-15/h1-3,5-6,9-10,13,20H,4,7-8,11-12,14H2
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| InChIKey |
IWUMSIWXCHHAQK-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7