General Information of the Compound
| Compound ID |
CP0401852
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| Compound Name |
US10028961, Compound 289
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| Structure |
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| Formula |
C19H19F5N8
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| Molecular Weight |
454.407
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| Canonical SMILES |
CC(C)(C)Nc1nc(Nc2ccnc(c2)C(C)(F)F)nc(n1)-c1nccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C19H19F5N8/c1-17(2,3)32-16-30-14(13-26-8-6-11(28-13)19(22,23)24)29-15(31-16)27-10-5-7-25-12(9-10)18(4,20)21/h5-9H,1-4H3,(H2,25,27,29,30,31,32)
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| InChIKey |
VVDJVXUCSQFDNF-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