General Information of the Compound
| Compound ID |
CP0417814
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| Compound Name |
US8586579, 99
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| Formula |
C25H40N4O2
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| Molecular Weight |
428.621
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| Canonical SMILES |
CC(C)(C)CC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1
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| InChI |
InChI=1S/C25H40N4O2/c1-25(2,3)18-23(30)27-20-6-4-19(5-7-20)9-12-28-13-15-29(16-14-28)24-21-10-17-31-22(21)8-11-26-24/h8,11,19-20H,4-7,9-10,12-18H2,1-3H3,(H,27,30)/t19-,20-
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| InChIKey |
DQVWGUUNHWMPMS-MXVIHJGJSA-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