General Information of the Compound
| Compound ID |
CP0495507
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| Compound Name |
US9266876, 64
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| Structure |
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| Formula |
C24H20F3N7OS
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| Molecular Weight |
511.533
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| Canonical SMILES |
FC(F)(F)c1nc2ccccc2n1CC(=O)N1CCN(CC1)c1scnc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C24H20F3N7OS/c25-24(26,27)23-31-17-7-3-4-8-18(17)34(23)13-19(35)32-9-11-33(12-10-32)22-20(28-14-36-22)21-29-15-5-1-2-6-16(15)30-21/h1-8,14H,9-13H2,(H,29,30)
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| InChIKey |
LWEMWERZUOBKHE-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