General Information of the Compound
| Compound ID |
CP0466071
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| Compound Name |
(6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl) N-tert-butylcarbamate
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| Structure |
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| Formula |
C24H30N2O2
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| Molecular Weight |
378.516
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| Canonical SMILES |
CCCN1CCc2cccc-3c2C1Cc1cccc(OC(=O)NC(C)(C)C)c-31
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| InChI |
InChI=1S/C24H30N2O2/c1-5-13-26-14-12-16-8-6-10-18-21(16)19(26)15-17-9-7-11-20(22(17)18)28-23(27)25-24(2,3)4/h6-11,19H,5,12-15H2,1-4H3,(H,25,27)
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| InChIKey |
QBLFVLVMLBAUAE-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01005, D(2) dopamine receptor