General Information of the Compound
| Compound ID |
CP0446204
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| Compound Name |
US10028961, Compound 257
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| Structure |
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| Formula |
C22H17F8N7
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| Molecular Weight |
531.411
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| Canonical SMILES |
FC(F)(F)c1cccc(n1)-c1nc(NC2CC3(C2)CC(F)(F)C3)nc(Nc2ccnc(c2)C(F)(F)F)n1
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| InChI |
InChI=1S/C22H17F8N7/c23-20(24)9-19(10-20)7-12(8-19)33-18-36-16(13-2-1-3-14(34-13)21(25,26)27)35-17(37-18)32-11-4-5-31-15(6-11)22(28,29)30/h1-6,12H,7-10H2,(H2,31,32,33,35,36,37)
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| InChIKey |
BTPLBROFKCBOEI-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