General Information of the Compound
| Compound ID |
CP0539508
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| Compound Name |
US10172864, Compound 418
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| Structure |
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| Formula |
C18H19ClF5N5
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| Molecular Weight |
435.828
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| Canonical SMILES |
C[C@@H](Nc1cc(NC2CCC(F)(F)CC2)nc(n1)-c1cccc(Cl)n1)C(F)(F)F
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| InChI |
InChI=1S/C18H19ClF5N5/c1-10(18(22,23)24)25-14-9-15(26-11-5-7-17(20,21)8-6-11)29-16(28-14)12-3-2-4-13(19)27-12/h2-4,9-11H,5-8H2,1H3,(H2,25,26,28,29)/t10-/m1/s1
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| InChIKey |
KKGDMBANXIMCDA-SNVBAGLBSA-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