General Information of the Compound
| Compound ID |
CP0474764
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| Compound Name |
US8586579, 12
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| Formula |
C23H34N4O3
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| Molecular Weight |
414.55
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| Canonical SMILES |
CCOCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1
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| InChI |
InChI=1S/C23H34N4O3/c1-2-29-17-22(28)25-19-5-3-18(4-6-19)8-11-26-12-14-27(15-13-26)23-20-9-16-30-21(20)7-10-24-23/h7,9-10,16,18-19H,2-6,8,11-15,17H2,1H3,(H,25,28)/t18-,19-
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| InChIKey |
WRBKFBAHOMAFKJ-WGSAOQKQSA-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