General Information of the Compound
| Compound ID |
CP0387388
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| Compound Name |
US10028961, Compound 308
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| Structure |
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| Formula |
C20H23F6N7
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| Molecular Weight |
475.441
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| Canonical SMILES |
FC(F)c1ccnc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
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| InChI |
InChI=1S/C20H23F6N7/c21-14(22)13-5-10-27-15(30-13)16-31-17(28-11-1-6-19(23,24)7-2-11)33-18(32-16)29-12-3-8-20(25,26)9-4-12/h5,10-12,14H,1-4,6-9H2,(H2,28,29,31,32,33)
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| InChIKey |
KCKMAAKVFCQNEN-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT03648, Isocitrate dehydrogenase [NADP], mitochondrial