General Information of the Compound
| Compound ID |
CP0412152
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| Compound Name |
US9169224, 34
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| Structure |
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| Formula |
C18H20BrN3O2
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| Molecular Weight |
390.281
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| Canonical SMILES |
Oc1ccc(Br)cc1CN1CCN(CC1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C18H20BrN3O2/c19-15-6-7-17(23)14(12-15)13-21-8-10-22(11-9-21)18(24)20-16-4-2-1-3-5-16/h1-7,12,23H,8-11,13H2,(H,20,24)
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| InChIKey |
BLQFFRUSHWWVMD-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