General Information of the Compound
| Compound ID |
CP0159854
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| Compound Name |
3,4-Dihydro-2-[4-(3,4-dihydro-6-methoxypyrazino[1,2-a]indol-2(1H)-yl)butyl]pyrazino[1,2-a]indol-1(2H)-one
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| Structure |
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| Formula |
C27H30N4O2
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| Molecular Weight |
442.563
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| Canonical SMILES |
COc1cccc2cc3CN(CCCCN4CCn5c(cc6ccccc56)C4=O)CCn3c12
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| InChI |
InChI=1S/C27H30N4O2/c1-33-25-10-6-8-21-17-22-19-28(13-15-30(22)26(21)25)11-4-5-12-29-14-16-31-23-9-3-2-7-20(23)18-24(31)27(29)32/h2-3,6-10,17-18H,4-5,11-16,19H2,1H3
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| InChIKey |
GPANICKLGIVBML-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: PT00943, D(3) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2