General Information of the Compound
| Compound ID |
CP0488712
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| Compound Name |
US9169224, 112
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| Structure |
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| Formula |
C21H21FN4O
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| Molecular Weight |
364.424
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| Canonical SMILES |
Fc1ccccc1NC(=O)N1CCN(Cc2cnc3ccccc3c2)CC1
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| InChI |
InChI=1S/C21H21FN4O/c22-18-6-2-4-8-20(18)24-21(27)26-11-9-25(10-12-26)15-16-13-17-5-1-3-7-19(17)23-14-16/h1-8,13-14H,9-12,15H2,(H,24,27)
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| InChIKey |
BOCLSHWPERCPTM-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