General Information of the Compound
| Compound ID |
CP0408183
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| Compound Name |
US8586579, 168
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| Formula |
C25H38N4O3
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| Molecular Weight |
442.604
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| Canonical SMILES |
OC1(CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4OCCc34)CC2)CCC1
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| InChI |
InChI=1S/C25H38N4O3/c30-23(18-25(31)9-1-10-25)27-20-4-2-19(3-5-20)7-12-28-13-15-29(16-14-28)24-21-8-17-32-22(21)6-11-26-24/h6,11,19-20,31H,1-5,7-10,12-18H2,(H,27,30)/t19-,20-
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| InChIKey |
AVJAAHWPEDARHN-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