General Information of the Compound
| Compound ID |
CP0409786
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| Compound Name |
US8598357, 70
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| Formula |
C26H34N2O4S
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| Molecular Weight |
470.635
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| Canonical SMILES |
O=S(=O)(N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1)c1ccccc1
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| InChI |
InChI=1S/C26H34N2O4S/c29-33(30,23-5-2-1-3-6-23)27-22-11-9-20(10-12-22)13-16-28-17-14-21(15-18-28)24-7-4-8-25-26(24)32-19-31-25/h1-8,20-22,27H,9-19H2/t20-,22-
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| InChIKey |
IMVQXSCPSNTRQQ-AQYVVDRMSA-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