General Information of the Compound
| Compound ID |
CP0420871
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| Compound Name |
5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaen-19-ol
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| Structure |
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| Formula |
C18H17NO3
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| Molecular Weight |
295.338
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| Canonical SMILES |
Oc1cccc2CN3CCc4cc5OCOc5cc4C3Cc12
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| InChI |
InChI=1S/C18H17NO3/c20-16-3-1-2-12-9-19-5-4-11-6-17-18(22-10-21-17)8-13(11)15(19)7-14(12)16/h1-3,6,8,15,20H,4-5,7,9-10H2
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| InChIKey |
AJIGSTIZSNHTOD-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