General Information of the Compound
| Compound ID |
CP0576902
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| Compound Name |
US9278960, 4-111
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| Structure |
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| Formula |
C22H22F2N4O
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| Molecular Weight |
396.441
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| Canonical SMILES |
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(CF)C3)cc2n1
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| InChI |
InChI=1S/C22H22F2N4O/c23-11-17-13-28(8-7-26-17)12-14-1-6-18-19(15-2-4-16(24)5-3-15)10-21(22(25)29)27-20(18)9-14/h1-6,9-10,17,26H,7-8,11-13H2,(H2,25,29)
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| InChIKey |
YZTZMXSXPRJVLX-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