General Information of the Compound
| Compound ID |
CP0517935
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| Compound Name |
US8618299, 48
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| Structure |
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| Formula |
C25H22F3N5O
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| Molecular Weight |
465.479
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| Canonical SMILES |
Cn1c2CCN3CCCC3c2c2ccc(nc12)-n1ccc(cc1=O)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C25H22F3N5O/c1-31-18-9-11-32-10-2-3-19(32)23(18)17-5-7-21(30-24(17)31)33-12-8-15(13-22(33)34)16-4-6-20(29-14-16)25(26,27)28/h4-8,12-14,19H,2-3,9-11H2,1H3
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| InChIKey |
IXIJNCPUODKQCZ-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