General Information of the Compound
| Compound ID |
CP0382711
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| Compound Name |
N-[4-[[(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-yl]oxy]butyl]-9H-fluorene-2-carboxamide
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| Structure |
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| Formula |
C32H36N2O4
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| Molecular Weight |
512.65
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| Canonical SMILES |
CCCN1CCO[C@H]2[C@H]1COc1ccc(OCCCCNC(=O)c3ccc-4c(Cc5ccccc-45)c3)cc21
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| InChI |
InChI=1S/C32H36N2O4/c1-2-14-34-15-17-37-31-28-20-25(10-12-30(28)38-21-29(31)34)36-16-6-5-13-33-32(35)23-9-11-27-24(19-23)18-22-7-3-4-8-26(22)27/h3-4,7-12,19-20,29,31H,2,5-6,13-18,21H2,1H3,(H,33,35)/t29-,31-/m1/s1
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| InChIKey |
DESXWTHSPLQRFM-BVRKHOPBSA-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