General Information of the Compound
| Compound ID |
CP0439157
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| Compound Name |
(5S,12R)-5,13-dimethyl-4-oxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(19),2(10),3(7),8,16(20),17-hexaene
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| Structure |
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| Formula |
C20H21NO
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| Molecular Weight |
291.394
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| Canonical SMILES |
C[C@H]1Cc2ccc3C[C@H]4N(C)CCc5cccc(c45)-c3c2O1
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| InChI |
InChI=1S/C20H21NO/c1-12-10-15-7-6-14-11-17-18-13(8-9-21(17)2)4-3-5-16(18)19(14)20(15)22-12/h3-7,12,17H,8-11H2,1-2H3/t12-,17+/m0/s1
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| InChIKey |
MSFBLSXHRFJARJ-YVEFUNNKSA-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
Protein ID: PT01005, D(2) dopamine receptor