General Information of the Compound
| Compound ID |
CP0400441
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| Compound Name |
US8637501, 69
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| Structure |
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| Formula |
C24H22F3N5O
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| Molecular Weight |
453.468
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| Canonical SMILES |
CN1CCCc2c(C1)c1ccc(cc1n2C)-n1ccc(cc1=O)-c1ccc(nn1)C(F)(F)F
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| InChI |
InChI=1S/C24H22F3N5O/c1-30-10-3-4-20-18(14-30)17-6-5-16(13-21(17)31(20)2)32-11-9-15(12-23(32)33)19-7-8-22(29-28-19)24(25,26)27/h5-9,11-13H,3-4,10,14H2,1-2H3
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| InChIKey |
PPLIVOKTGDWVNL-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