General Information of the Compound
| Compound ID |
CP0424422
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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),9,15,17,19-hexaen-18-ol
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| Structure |
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| Formula |
C19H19NO4
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| Molecular Weight |
325.364
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| Canonical SMILES |
COc1cc2CN3CCc4cc5OCOc5cc4C3Cc2cc1O
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| InChI |
InChI=1S/C19H19NO4/c1-22-17-7-13-9-20-3-2-11-6-18-19(24-10-23-18)8-14(11)15(20)4-12(13)5-16(17)21/h5-8,15,21H,2-4,9-10H2,1H3
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| InChIKey |
JTIDLYYTBZEHGF-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