General Information of the Compound
| Compound ID |
CP0446207
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| Compound Name |
US10028961, Compound 288
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| Structure |
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| Formula |
C19H17F3N8O
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| Molecular Weight |
430.394
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| Canonical SMILES |
CC(C)(O)CNc1nc(Nc2ccnc(c2)C#N)nc(n1)-c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C19H17F3N8O/c1-18(2,31)10-25-16-28-15(13-4-3-5-14(27-13)19(20,21)22)29-17(30-16)26-11-6-7-24-12(8-11)9-23/h3-8,31H,10H2,1-2H3,(H2,24,25,26,28,29,30)
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| InChIKey |
VHJMSJJKVRIIBP-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