General Information of the Compound
| Compound ID |
CP0382712
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| Compound Name |
7-[4-[(4aR,10bR)-9-hydroxy-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-4-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C24H28N2O5
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| Molecular Weight |
424.497
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| Canonical SMILES |
Oc1ccc2OC[C@@H]3[C@H](OCCN3CCCCOc3ccc4CCC(=O)Nc4c3)c2c1
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| InChI |
InChI=1S/C24H28N2O5/c27-17-5-7-22-19(13-17)24-21(15-31-22)26(10-12-30-24)9-1-2-11-29-18-6-3-16-4-8-23(28)25-20(16)14-18/h3,5-7,13-14,21,24,27H,1-2,4,8-12,15H2,(H,25,28)/t21-,24-/m1/s1
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| InChIKey |
DTLUAUCSESZJOW-ZJSXRUAMSA-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