General Information of the Compound
| Compound ID |
CP0472407
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| Compound Name |
5-hydroxy-8-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C25H30N4O5
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| Molecular Weight |
466.538
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| Canonical SMILES |
Oc1ccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c2OCC(=O)Nc12
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| InChI |
InChI=1S/C25H30N4O5/c30-21-7-6-20(25-24(21)27-23(32)16-34-25)29-12-10-28(11-13-29)9-1-2-14-33-18-5-3-17-4-8-22(31)26-19(17)15-18/h3,5-7,15,30H,1-2,4,8-14,16H2,(H,26,31)(H,27,32)
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| InChIKey |
DEKJLYJRFGCPNK-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