General Information of the Compound
| Compound ID |
CP0513507
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| Compound Name |
US10028961, Compound 241
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| Structure |
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| Formula |
C20H27F3N6O
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| Molecular Weight |
424.471
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| Canonical SMILES |
CC(C)OCC(C)Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C20H27F3N6O/c1-11(2)30-10-12(3)24-18-27-17(15-6-5-7-16(26-15)20(21,22)23)28-19(29-18)25-13(4)14-8-9-14/h5-7,11-14H,8-10H2,1-4H3,(H2,24,25,27,28,29)/t12?,13-/m1/s1
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| InChIKey |
HNZFJEZPGBZOCO-ZGTCLIOFSA-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