General Information of the Compound
| Compound ID |
CP0886863
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| Compound Name |
US9187424, 293
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| Structure |
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| Formula |
C21H22F3N5O
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| Molecular Weight |
417.435
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| Canonical SMILES |
CCCCCC#CC1(C(F)(F)F)CC(c2ccc(C)cc2)=C(c2nn[nH]n2)C(=O)N1
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| InChI |
InChI=1S/C21H22F3N5O/c1-3-4-5-6-7-12-20(21(22,23)24)13-16(15-10-8-14(2)9-11-15)17(19(30)25-20)18-26-28-29-27-18/h8-11H,3-6,13H2,1-2H3,(H,25,30)(H,26,27,28,29)
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| InChIKey |
ZTGRVMGGBAIVTB-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