General Information of the Compound
| Compound ID |
CP0451609
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| Compound Name |
6,18-dimethoxy-19-propoxy-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4(9),5,7,16,18,20-heptaene
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| Structure |
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| Formula |
C24H28N2O3
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| Molecular Weight |
392.499
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| Canonical SMILES |
CCCOc1cc2C3Cc4c(CN3CCc2cc1OC)[nH]c1ccc(OC)cc41
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| InChI |
InChI=1S/C24H28N2O3/c1-4-9-29-24-13-17-15(10-23(24)28-3)7-8-26-14-21-19(12-22(17)26)18-11-16(27-2)5-6-20(18)25-21/h5-6,10-11,13,22,25H,4,7-9,12,14H2,1-3H3
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| InChIKey |
GVCJJVSREOMICJ-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor