General Information of the Compound
| Compound ID |
CP0403470
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| Compound Name |
US8598357, 45
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| Formula |
C26H38N2O4
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| Molecular Weight |
442.6
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| Canonical SMILES |
OC1(CC(=O)N[C@H]2CC[C@H](CCN3CCC(CC3)c3cccc4OCOc34)CC2)CCC1
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| InChI |
InChI=1S/C26H38N2O4/c29-24(17-26(30)12-2-13-26)27-21-7-5-19(6-8-21)9-14-28-15-10-20(11-16-28)22-3-1-4-23-25(22)32-18-31-23/h1,3-4,19-21,30H,2,5-18H2,(H,27,29)/t19-,21-
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| InChIKey |
QBQZCKZJIWENBM-XUTJKUGGSA-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