General Information of the Compound
| Compound ID |
CP0542997
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| Compound Name |
5,7-dioxa-13,16-diazahexacyclo[11.11.0.02,10.04,8.015,23.017,22]tetracosa-2,4(8),9,15(23),17,19,21-heptaene
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| Structure |
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| Formula |
C20H18N2O2
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| Molecular Weight |
318.376
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| Canonical SMILES |
C1Oc2cc3CCN4Cc5[nH]c6ccccc6c5CC4c3cc2O1
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| InChI |
InChI=1S/C20H18N2O2/c1-2-4-16-13(3-1)15-8-18-14-9-20-19(23-11-24-20)7-12(14)5-6-22(18)10-17(15)21-16/h1-4,7,9,18,21H,5-6,8,10-11H2
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| InChIKey |
KROMIZUJAJKGLD-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