General Information of the Compound
| Compound ID |
CP0432290
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| Compound Name |
(3-Phenyl-propyl)-(6,7,8,9-tetrahydro-3H-benzo[e]indol-8-ylmethyl)-amine
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| Structure |
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| Formula |
C22H26N2
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| Molecular Weight |
318.464
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| Canonical SMILES |
C(CNCC1CCc2ccc3[nH]ccc3c2C1)Cc1ccccc1
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| InChI |
InChI=1S/C22H26N2/c1-2-5-17(6-3-1)7-4-13-23-16-18-8-9-19-10-11-22-20(12-14-24-22)21(19)15-18/h1-3,5-6,10-12,14,18,23-24H,4,7-9,13,15-16H2
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| InChIKey |
ZBSUSNSHVMDYGJ-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: PT01448, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor