General Information of the Compound
| Compound ID |
CP0457657
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| Compound Name |
US10028961, Compound 74
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| Structure |
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| Formula |
C16H25N7
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| Molecular Weight |
315.425
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| Canonical SMILES |
CC(C)CNc1nc(NCC(C)C)nc(n1)-c1cccc(N)n1
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| InChI |
InChI=1S/C16H25N7/c1-10(2)8-18-15-21-14(12-6-5-7-13(17)20-12)22-16(23-15)19-9-11(3)4/h5-7,10-11H,8-9H2,1-4H3,(H2,17,20)(H2,18,19,21,22,23)
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| InChIKey |
KXBSNIIOMINIBQ-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