General Information of the Compound
| Compound ID |
CP0407212
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| Compound Name |
US8598357, 30
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| Formula |
C28H42N2O4
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| Molecular Weight |
470.654
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| Canonical SMILES |
CO[C@@H]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](CCN3CCC(CC3)c3cccc4OCOc34)CC2)C1
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| InChI |
InChI=1S/C28H42N2O4/c1-32-24-10-7-21(17-24)18-27(31)29-23-8-5-20(6-9-23)11-14-30-15-12-22(13-16-30)25-3-2-4-26-28(25)34-19-33-26/h2-4,20-24H,5-19H2,1H3,(H,29,31)/t20-,21-,23-,24-/m1/s1
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| InChIKey |
AZFDKPLHCSQHQI-LUGTWXOSSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor