General Information of the Compound
| Compound ID |
CP0411379
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| Compound Name |
US8586579, 96
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| Formula |
C22H32N4O2
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| Molecular Weight |
384.524
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| Canonical SMILES |
CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nc(C)cc3occc23)CC1
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| InChI |
InChI=1S/C22H32N4O2/c1-16-15-21-20(8-14-28-21)22(23-16)26-12-10-25(11-13-26)9-7-18-3-5-19(6-4-18)24-17(2)27/h8,14-15,18-19H,3-7,9-13H2,1-2H3,(H,24,27)/t18-,19-
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| InChIKey |
QGKIQQCQAJMJNK-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