General Information of the Compound
| Compound ID |
CP0477107
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| Compound Name |
US10946023, Compound 383
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| Structure |
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| Formula |
C24H16F6N8
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| Molecular Weight |
530.436
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| Canonical SMILES |
C[C@@H](Nc1nc(Nc2ccnc(c2)-c2ccc(cc2)C#N)nc(n1)-c1cccc(n1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C24H16F6N8/c1-13(23(25,26)27)33-21-36-20(17-3-2-4-19(35-17)24(28,29)30)37-22(38-21)34-16-9-10-32-18(11-16)15-7-5-14(12-31)6-8-15/h2-11,13H,1H3,(H2,32,33,34,36,37,38)/t13-/m1/s1
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| InChIKey |
AJWRMQNOMTURBI-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