General Information of the Compound
| Compound ID |
CP0550965
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| Compound Name |
US8618299, 30
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| Structure |
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| Formula |
C26H23F3N4O
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| Molecular Weight |
464.491
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| Canonical SMILES |
Cn1c2CC3CCCN3Cc2c2ccc(cc12)-n1ccc(cc1=O)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C26H23F3N4O/c1-31-22-13-19(5-6-20(22)21-15-32-9-2-3-18(32)12-23(21)31)33-10-8-16(11-25(33)34)17-4-7-24(30-14-17)26(27,28)29/h4-8,10-11,13-14,18H,2-3,9,12,15H2,1H3
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| InChIKey |
FWTIOQJVMOWVJS-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