General Information of the Compound
| Compound ID |
CP0530691
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| Compound Name |
US10028961, Compound 219
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| Structure |
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| Formula |
C24H24F5N7
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| Molecular Weight |
505.495
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| Canonical SMILES |
FC(F)(F)c1cccc(n1)-c1nc(NC2CCN(C2)c2ccccc2)nc(NC2CCC(F)(F)C2)n1
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| InChI |
InChI=1S/C24H24F5N7/c25-23(26)11-9-15(13-23)30-21-33-20(18-7-4-8-19(32-18)24(27,28)29)34-22(35-21)31-16-10-12-36(14-16)17-5-2-1-3-6-17/h1-8,15-16H,9-14H2,(H2,30,31,33,34,35)
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| InChIKey |
ATYUYZMINSFJHA-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