General Information of the Compound
| Compound ID |
CP0407665
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| Compound Name |
US8586579, 112
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| Formula |
C24H33N5O3
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| Molecular Weight |
439.56
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| Canonical SMILES |
Cc1cc(on1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1
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| InChI |
InChI=1S/C24H33N5O3/c1-17-16-22(32-27-17)24(30)26-19-4-2-18(3-5-19)7-10-28-11-13-29(14-12-28)23-20-8-15-31-21(20)6-9-25-23/h6,9,16,18-19H,2-5,7-8,10-15H2,1H3,(H,26,30)/t18-,19-
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| InChIKey |
FUAJGUYRNZZDBH-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