General Information of the Compound
| Compound ID |
CP0459803
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| Compound Name |
20-fluoro-5,7-dioxa-13,16-diazahexacyclo[11.11.0.02,10.04,8.015,23.017,22]tetracosa-2,4(8),9,15(23),17(22),18,20-heptaene
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| Structure |
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| Formula |
C20H17FN2O2
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| Molecular Weight |
336.366
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| Canonical SMILES |
Fc1ccc2[nH]c3CN4CCc5cc6OCOc6cc5C4Cc3c2c1
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| InChI |
InChI=1S/C20H17FN2O2/c21-12-1-2-16-14(6-12)15-7-18-13-8-20-19(24-10-25-20)5-11(13)3-4-23(18)9-17(15)22-16/h1-2,5-6,8,18,22H,3-4,7,9-10H2
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| InChIKey |
FIVIWEWQNXBTHT-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