General Information of the Compound
| Compound ID |
CP0443216
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| Compound Name |
(1S)-16-methoxy-5-oxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-17-ol
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| Structure |
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| Formula |
C20H21NO3
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| Molecular Weight |
323.392
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| Canonical SMILES |
COc1c(O)ccc2C[C@@H]3N(CCc4cc5CCOc5cc34)Cc12
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| InChI |
InChI=1S/C20H21NO3/c1-23-20-16-11-21-6-4-13-8-14-5-7-24-19(14)10-15(13)17(21)9-12(16)2-3-18(20)22/h2-3,8,10,17,22H,4-7,9,11H2,1H3/t17-/m0/s1
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| InChIKey |
HYIGJQLIWSXNQW-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor