General Information of the Compound
| Compound ID |
CP0473725
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| Compound Name |
US10028961, Compound 359
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| Structure |
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| Formula |
C23H17F6N7
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| Molecular Weight |
505.426
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| Canonical SMILES |
C[C@@H](Nc1nc(Nc2ccnc(c2)-c2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H17F6N7/c1-13(22(24,25)26)31-20-34-19(16-8-5-9-18(33-16)23(27,28)29)35-21(36-20)32-15-10-11-30-17(12-15)14-6-3-2-4-7-14/h2-13H,1H3,(H2,30,31,32,34,35,36)/t13-/m1/s1
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| InChIKey |
NWTISIXHXPIMSM-CYBMUJFWSA-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