General Information of the Compound
| Compound ID |
CP0387394
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| Compound Name |
US10028961, Compound 230
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| Formula |
C24H22F6N6
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| Molecular Weight |
508.47
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| Canonical SMILES |
Fc1ccc(cc1)[C@H]1C[C@@H](C1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C24H22F6N6/c25-15-6-4-13(5-7-15)14-10-17(11-14)32-22-35-20(18-2-1-3-19(33-18)24(28,29)30)34-21(36-22)31-16-8-9-23(26,27)12-16/h1-7,14,16-17H,8-12H2,(H2,31,32,34,35,36)/t14-,16?,17-
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| InChIKey |
MVZVTAYGMMCXIJ-CRKQFFBESA-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