General Information of the Compound
| Compound ID |
CP0446198
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| Compound Name |
US10028961, Compound 243
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| Structure |
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| Formula |
C22H21F5N8
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| Molecular Weight |
492.456
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| Canonical SMILES |
FC(F)(F)c1cccc(n1)-c1nc(NC2CN(C2)c2cccnc2)nc(NC2CCC(F)(F)C2)n1
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| InChI |
InChI=1S/C22H21F5N8/c23-21(24)7-6-13(9-21)29-19-32-18(16-4-1-5-17(31-16)22(25,26)27)33-20(34-19)30-14-11-35(12-14)15-3-2-8-28-10-15/h1-5,8,10,13-14H,6-7,9,11-12H2,(H2,29,30,32,33,34)
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| InChIKey |
MOFOELJBPOCBKQ-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