General Information of the Compound
| Compound ID |
CP0379153
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| Compound Name |
Bivalent 4-Aminoquinoline 9f
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| Structure |
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| Formula |
C25H28N4
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| Molecular Weight |
384.527
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| Canonical SMILES |
C(CCCNc1ccnc2ccccc12)CCCNc1ccnc2ccccc12
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| InChI |
InChI=1S/C25H28N4/c1(2-8-16-26-24-14-18-28-22-12-6-4-10-20(22)24)3-9-17-27-25-15-19-29-23-13-7-5-11-21(23)25/h4-7,10-15,18-19H,1-3,8-9,16-17H2,(H,26,28)(H,27,29)
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| InChIKey |
OQGAVEZMVJJWSH-UHFFFAOYSA-N
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| CAS |
57599-90-3
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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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor