General Information of the Compound
| Compound ID |
CP0483364
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| Compound Name |
US9428460, 17
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| Formula |
C22H20BrFN2O2
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| Molecular Weight |
443.316
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12
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| InChI |
InChI=1S/C22H20BrFN2O2/c23-19-3-1-2-18-20(12-13-25-21(18)19)28-17-10-8-16(9-11-17)26-22(27)14-4-6-15(24)7-5-14/h1-7,12-13,16-17H,8-11H2,(H,26,27)/t16-,17-
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| InChIKey |
QWNCNZDENALGGP-QAQDUYKDSA-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