General Information of the Compound
| Compound ID |
CP0425028
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| Compound Name |
US8586579, 118
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| Formula |
C25H38N4O4
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| Molecular Weight |
458.603
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| Canonical SMILES |
O[C@@H]1COC(CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4OCCc34)CC2)C1
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| InChI |
InChI=1S/C25H38N4O4/c30-20-15-21(33-17-20)16-24(31)27-19-3-1-18(2-4-19)6-9-28-10-12-29(13-11-28)25-22-7-14-32-23(22)5-8-26-25/h5,8,18-21,30H,1-4,6-7,9-17H2,(H,27,31)/t18-,19-,20-,21?/m0/s1
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| InChIKey |
XIVALFSMOKTRNY-AVJWEPTDSA-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