General Information of the Compound
| Compound ID |
CP0240412
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| Compound Name |
US10618914, Compound 7b
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| Structure |
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| Formula |
C19H14N6S
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| Molecular Weight |
358.43
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| Canonical SMILES |
C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccccc1
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| InChI |
InChI=1S/C19H14N6S/c1-3-7-13(8-4-1)15-11-16(21-20-15)18-22-23-19-25(18)24-17(12-26-19)14-9-5-2-6-10-14/h1-11H,12H2,(H,20,21)
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| InChIKey |
TUFHEEZPYAMHFI-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: PT01503, Signal transducer and activator of transcription 3