General Information of the Compound
| Compound ID |
CP0967740
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| Compound Name |
US9062048, 87
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| Structure |
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| Formula |
C24H24F6N6O2S
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| Molecular Weight |
574.551
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| Canonical SMILES |
O=C(CNc1nc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(O)(c3cncs3)CC2)C1
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| InChI |
InChI=1S/C24H24F6N6O2S/c25-23(26,27)13-1-2-17-16(7-13)20(35-21(34-17)24(28,29)30)32-9-19(37)33-14-10-36(11-14)15-3-5-22(38,6-4-15)18-8-31-12-39-18/h1-2,7-8,12,14-15,38H,3-6,9-11H2,(H,33,37)(H,32,34,35)
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| InChIKey |
VSEDSFRLQXFULM-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