General Information of the Compound
| Compound ID |
CP0377930
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| Compound Name |
2-methyl-8-pyridin-3-yl-5-(2-pyridin-2-ylethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
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| Structure |
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| Formula |
C24H24N4
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| Molecular Weight |
368.484
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| Canonical SMILES |
CN1CCc2c(C1)c1cc(ccc1n2CCc1ccccn1)-c1cccnc1
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| InChI |
InChI=1S/C24H24N4/c1-27-13-10-24-22(17-27)21-15-18(19-5-4-11-25-16-19)7-8-23(21)28(24)14-9-20-6-2-3-12-26-20/h2-8,11-12,15-16H,9-10,13-14,17H2,1H3
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| InChIKey |
TZBFBARTOUGERH-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT01206, Histamine H1 receptor