General Information of the Compound
| Compound ID |
CP0387393
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| Compound Name |
US10946023, Compound 201
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| Structure |
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| Formula |
C19H15F6N9
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| Molecular Weight |
483.38
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| Canonical SMILES |
CC(Nc1nc(Nc2ccnc(c2)C2(CC2)C#N)nc(n1)-n1ccc(n1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C19H15F6N9/c1-10(18(20,21)22)28-14-30-15(29-11-2-6-27-13(8-11)17(9-26)4-5-17)32-16(31-14)34-7-3-12(33-34)19(23,24)25/h2-3,6-8,10H,4-5H2,1H3,(H2,27,28,29,30,31,32)
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| InChIKey |
VXRYLBWUODLCCR-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