General Information of the Compound
| Compound ID |
CP0393574
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| Compound Name |
US10028961, Compound 214
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| Structure |
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| Formula |
C18H20F3N7
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| Molecular Weight |
391.401
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| Canonical SMILES |
CC(CC#N)Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C18H20F3N7/c1-10(8-9-22)23-16-26-15(13-4-3-5-14(25-13)18(19,20)21)27-17(28-16)24-11(2)12-6-7-12/h3-5,10-12H,6-8H2,1-2H3,(H2,23,24,26,27,28)/t10?,11-/m1/s1
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| InChIKey |
IFMDZJNJPFFCSK-RRKGBCIJSA-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