General Information of the Compound
| Compound ID |
CP0540949
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| Compound Name |
US9255103, 18
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| Structure |
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| Formula |
C22H22FN3O2
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| Molecular Weight |
379.435
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| Canonical SMILES |
CC1(C)CN(Cc2cc(COc3ccccc3)nn12)C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H22FN3O2/c1-22(2)15-25(21(27)16-8-10-17(23)11-9-16)13-19-12-18(24-26(19)22)14-28-20-6-4-3-5-7-20/h3-12H,13-15H2,1-2H3
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| InChIKey |
STMDBOXTMRTNMA-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