General Information of the Compound
| Compound ID |
CP0384127
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| Compound Name |
(1-Methylsulfanyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl)-dipropyl-amine
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| Structure |
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| Formula |
C19H28N2S
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| Molecular Weight |
316.514
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| Canonical SMILES |
CCCN(CCC)C1CCc2ccc3[nH]cc(SC)c3c2C1
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| InChI |
InChI=1S/C19H28N2S/c1-4-10-21(11-5-2)15-8-6-14-7-9-17-19(16(14)12-15)18(22-3)13-20-17/h7,9,13,15,20H,4-6,8,10-12H2,1-3H3
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| InChIKey |
YGRQUNNODUOAHB-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: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor