General Information of the Compound
| Compound ID |
CP0446908
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| Compound Name |
8-hydroxy-5-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]-1,4-diazepan-1-yl]-1H-quinolin-2-one
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| Structure |
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| Formula |
C27H32N4O4
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| Molecular Weight |
476.577
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| Canonical SMILES |
Oc1ccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2ccc(=O)[nH]c12
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| InChI |
InChI=1S/C27H32N4O4/c32-24-9-8-23(21-7-11-26(34)29-27(21)24)31-14-3-13-30(15-16-31)12-1-2-17-35-20-6-4-19-5-10-25(33)28-22(19)18-20/h4,6-9,11,18,32H,1-3,5,10,12-17H2,(H,28,33)(H,29,34)
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| InChIKey |
RWMHVMBWEZTTSB-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2