General Information of the Compound
| Compound ID |
CP0526111
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| Compound Name |
US9266876, 54
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| Structure |
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| Formula |
C25H21F3N6OS
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| Molecular Weight |
510.545
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| Canonical SMILES |
FC(F)(F)c1ccc2ccn(CC(=O)N3CCN(CC3)c3scnc3-c3nc4ccccc4[nH]3)c2c1
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| InChI |
InChI=1S/C25H21F3N6OS/c26-25(27,28)17-6-5-16-7-8-34(20(16)13-17)14-21(35)32-9-11-33(12-10-32)24-22(29-15-36-24)23-30-18-3-1-2-4-19(18)31-23/h1-8,13,15H,9-12,14H2,(H,30,31)
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| InChIKey |
RTOIAPLSSZIQHL-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