General Information of the Compound
| Compound ID |
CP0457656
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| Compound Name |
US10028961, Compound 72
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| Structure |
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| Formula |
C18H19ClN6O2
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| Molecular Weight |
386.843
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| Canonical SMILES |
Clc1cccc(n1)-c1nc(NC2C3COCC23)nc(NC2C3COCC23)n1
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| InChI |
InChI=1S/C18H19ClN6O2/c19-13-3-1-2-12(20-13)16-23-17(21-14-8-4-26-5-9(8)14)25-18(24-16)22-15-10-6-27-7-11(10)15/h1-3,8-11,14-15H,4-7H2,(H2,21,22,23,24,25)
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| InChIKey |
CBYBEVCADOLNTG-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
Protein ID: PT03648, Isocitrate dehydrogenase [NADP], mitochondrial