General Information of the Compound
| Compound ID |
CP0919856
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| Compound Name |
SID49667170
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| Structure |
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| Formula |
C16H12F3N3O
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| Molecular Weight |
319.286
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| Canonical SMILES |
Cc1ccc(C(=O)Nc2cccc3[nH]c(C(F)(F)F)nc23)cc1
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| InChI |
InChI=1S/C16H12F3N3O/c1-9-5-7-10(8-6-9)14(23)20-11-3-2-4-12-13(11)22-15(21-12)16(17,18)19/h2-8H,1H3,(H,20,23)(H,21,22)
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| InChIKey |
RBFZGEWSOXZHNX-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