General Information of the Compound
| Compound ID |
CP0420830
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| Compound Name |
(12R)-13-methyl-4,6-dioxa-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 |
C18H17NO2
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| Molecular Weight |
279.339
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| Canonical SMILES |
CN1CCc2cccc-3c2[C@H]1Cc1ccc2OCOc2c-31
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| InChI |
InChI=1S/C18H17NO2/c1-19-8-7-11-3-2-4-13-16(11)14(19)9-12-5-6-15-18(17(12)13)21-10-20-15/h2-6,14H,7-10H2,1H3/t14-/m1/s1
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| InChIKey |
KQKNFEONJSYEER-CQSZACIVSA-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