General Information of the Compound
| Compound ID |
CP0380664
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| Compound Name |
7-[4-[2-(1-benzylindol-3-yl)ethylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C30H33N3O2
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| Molecular Weight |
467.613
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| Canonical SMILES |
O=C1CCc2ccc(OCCCCNCCc3cn(Cc4ccccc4)c4ccccc34)cc2N1
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| InChI |
InChI=1S/C30H33N3O2/c34-30-15-13-24-12-14-26(20-28(24)32-30)35-19-7-6-17-31-18-16-25-22-33(21-23-8-2-1-3-9-23)29-11-5-4-10-27(25)29/h1-5,8-12,14,20,22,31H,6-7,13,15-19,21H2,(H,32,34)
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| InChIKey |
FDGNQWITRXOPIF-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: PT01005, D(2) dopamine receptor