General Information of the Compound
| Compound ID |
CP0462704
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| Compound Name |
US8586579, 82
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| Formula |
C23H32N4O2
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| Molecular Weight |
396.535
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| Canonical SMILES |
CC#CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1
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| InChI |
InChI=1S/C23H32N4O2/c1-2-3-22(28)25-19-6-4-18(5-7-19)9-12-26-13-15-27(16-14-26)23-20-10-17-29-21(20)8-11-24-23/h8,11,18-19H,4-7,9-10,12-17H2,1H3,(H,25,28)/t18-,19-
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| InChIKey |
XDPTVFIWUAWOLA-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