General Information of the Compound
| Compound ID |
CP0416467
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| Compound Name |
(8R)-8-[2-methylpropyl(propyl)amino]-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
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| Structure |
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| Formula |
C20H28N2O
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| Molecular Weight |
312.457
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| Canonical SMILES |
CCCN(CC(C)C)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
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| InChI |
InChI=1S/C20H28N2O/c1-4-9-22(12-14(2)3)17-7-5-15-6-8-19-20(18(15)10-17)16(13-23)11-21-19/h6,8,11,13-14,17,21H,4-5,7,9-10,12H2,1-3H3/t17-/m1/s1
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| InChIKey |
WQCPRDLCQLSJEB-QGZVFWFLSA-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: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor