General Information of the Compound
| Compound ID |
CP0401752
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| Compound Name |
US10028961, Compound 166
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| Structure |
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| Formula |
C24H23F5N6O
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| Molecular Weight |
506.479
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| Canonical SMILES |
COc1ccc2CC(Cc2c1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C24H23F5N6O/c1-36-17-6-5-13-9-16(10-14(13)11-17)31-22-34-20(18-3-2-4-19(32-18)24(27,28)29)33-21(35-22)30-15-7-8-23(25,26)12-15/h2-6,11,15-16H,7-10,12H2,1H3,(H2,30,31,33,34,35)
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| InChIKey |
KUJAJRWAMBXQRE-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