General Information of the Compound
| Compound ID |
CP0450763
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| Compound Name |
US8637501, 102
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| Structure |
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| Formula |
C24H22F2N4O2
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| Molecular Weight |
436.462
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| Canonical SMILES |
Cn1c2CCNCCc2c2ccc(cc12)-n1ccc(OCc2ncc(F)cc2F)cc1=O
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| InChI |
InChI=1S/C24H22F2N4O2/c1-29-22-5-8-27-7-4-19(22)18-3-2-16(11-23(18)29)30-9-6-17(12-24(30)31)32-14-21-20(26)10-15(25)13-28-21/h2-3,6,9-13,27H,4-5,7-8,14H2,1H3
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| InChIKey |
YKDZHMFKLIFINC-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