General Information of the Compound
| Compound ID |
CP0416656
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| Compound Name |
(1S)-16,18-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene
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| Structure |
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| Formula |
C20H21NO4
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| Molecular Weight |
339.391
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| Canonical SMILES |
COc1cc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c(OC)c1
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| InChI |
InChI=1S/C20H21NO4/c1-22-14-5-13-6-17-15-9-20-19(24-11-25-20)7-12(15)3-4-21(17)10-16(13)18(8-14)23-2/h5,7-9,17H,3-4,6,10-11H2,1-2H3/t17-/m0/s1
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| InChIKey |
IYEFMXWWGFOWHC-KRWDZBQOSA-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