General Information of the Compound
| Compound ID |
CP0545110
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| Compound Name |
US9359372, DC037032
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| Structure |
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| Formula |
C21H23NO4
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| Molecular Weight |
353.418
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| Canonical SMILES |
COc1ccc(OC)c2CN3CCc4cc5OCCOc5cc4[C@@H]3Cc12
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| InChI |
InChI=1S/C21H23NO4/c1-23-18-3-4-19(24-2)16-12-22-6-5-13-9-20-21(26-8-7-25-20)11-14(13)17(22)10-15(16)18/h3-4,9,11,17H,5-8,10,12H2,1-2H3/t17-/m0/s1
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| InChIKey |
ITCUCWQVCFTWPK-KRWDZBQOSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01195, D(1A) dopamine receptor