General Information of the Compound
| Compound ID |
CP0885181
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| Compound Name |
SID103158874
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| Structure |
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| Formula |
C16H14F3N5S
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| Molecular Weight |
365.384
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| Canonical SMILES |
NC(Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2cnccn2)n1
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| InChI |
InChI=1S/C16H14F3N5S/c17-16(18,19)11-3-1-10(2-4-11)7-12(20)13-9-25-15(23-13)24-14-8-21-5-6-22-14/h1-6,8-9,12H,7,20H2,(H,22,23,24)
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| InChIKey |
KAMFAXAWGOPAQC-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: PT06172, Mothers against decapentaplegic homolog 3