General Information of the Compound
| Compound ID |
CP0377149
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| Compound Name |
(8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)-phenyl-methanone
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| Structure |
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| Formula |
C25H30N2O
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| Molecular Weight |
374.528
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| Canonical SMILES |
CCCN(CCC)C1CCc2ccc3[nH]cc(C(=O)c4ccccc4)c3c2C1
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| InChI |
InChI=1S/C25H30N2O/c1-3-14-27(15-4-2)20-12-10-18-11-13-23-24(21(18)16-20)22(17-26-23)25(28)19-8-6-5-7-9-19/h5-9,11,13,17,20,26H,3-4,10,12,14-16H2,1-2H3
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| InChIKey |
WYHYLXRVYVASMT-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor