General Information of the Compound
| Compound ID |
CP0887438
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| Compound Name |
US9187424, 194
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| Structure |
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| Formula |
C22H23F3N4O
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| Molecular Weight |
416.447
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| Canonical SMILES |
CCCCCC#CC1(C(F)(F)F)CC(c2ccc(C)cc2)=C(c2cn[nH]n2)C(=O)N1
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| InChI |
InChI=1S/C22H23F3N4O/c1-3-4-5-6-7-12-21(22(23,24)25)13-17(16-10-8-15(2)9-11-16)19(20(30)27-21)18-14-26-29-28-18/h8-11,14H,3-6,13H2,1-2H3,(H,27,30)(H,26,28,29)
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| InChIKey |
OITKYVMCXWKTFO-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