General Information of the Compound
| Compound ID |
CP0419719
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| Compound Name |
(17-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-16-yl) acetate
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| Structure |
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| Formula |
C21H21NO5
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| Molecular Weight |
367.401
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| Canonical SMILES |
COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC(C)=O
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| InChI |
InChI=1S/C21H21NO5/c1-12(23)27-21-16-10-22-6-5-14-8-19-20(26-11-25-19)9-15(14)17(22)7-13(16)3-4-18(21)24-2/h3-4,8-9,17H,5-7,10-11H2,1-2H3
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| InChIKey |
GLRJJXPRWYHFGP-UHFFFAOYSA-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT01039, Tissue factor