General Information of the Compound
| Compound ID |
CP0957731
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| Compound Name |
US9187424, 292
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| Structure |
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| Formula |
C24H27F3N6OS
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| Molecular Weight |
504.582
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| Canonical SMILES |
CCCCCCCc1cnc(C2(C(F)(F)F)CC(c3ccc(C)cc3)=C(c3nn[nH]n3)C(=O)N2)s1
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| InChI |
InChI=1S/C24H27F3N6OS/c1-3-4-5-6-7-8-17-14-28-22(35-17)23(24(25,26)27)13-18(16-11-9-15(2)10-12-16)19(21(34)29-23)20-30-32-33-31-20/h9-12,14H,3-8,13H2,1-2H3,(H,29,34)(H,30,31,32,33)
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| InChIKey |
JRTAVNYOCNIEND-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