General Information of the Compound
| Compound ID |
CP0382704
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| Compound Name |
2-[4-[[(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-yl]oxy]butyl]isoindole-1,3-dione
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| Structure |
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| Formula |
C26H30N2O5
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| Molecular Weight |
450.535
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| Canonical SMILES |
CCCN1CCO[C@H]2[C@H]1COc1ccc(OCCCCN3C(=O)c4ccccc4C3=O)cc21
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| InChI |
InChI=1S/C26H30N2O5/c1-2-11-27-13-15-32-24-21-16-18(9-10-23(21)33-17-22(24)27)31-14-6-5-12-28-25(29)19-7-3-4-8-20(19)26(28)30/h3-4,7-10,16,22,24H,2,5-6,11-15,17H2,1H3/t22-,24-/m1/s1
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| InChIKey |
UPNHRBCDSZJKGL-ISKFKSNPSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor