General Information of the Compound
| Compound ID |
CP0403462
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| Compound Name |
US8586579, 105
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| Formula |
C26H38N4O3
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| Molecular Weight |
454.615
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| Canonical SMILES |
Cc1cnc(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)C3CCOCC3)CC2)c2ccoc12
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| InChI |
InChI=1S/C26H38N4O3/c1-19-18-27-25(23-9-17-33-24(19)23)30-13-11-29(12-14-30)10-6-20-2-4-22(5-3-20)28-26(31)21-7-15-32-16-8-21/h9,17-18,20-22H,2-8,10-16H2,1H3,(H,28,31)/t20-,22-
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| InChIKey |
XZKJWFNUAUOHAC-AQYVVDRMSA-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