General Information of the Compound
| Compound ID |
CP0961998
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| Compound Name |
SID103075452
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| Structure |
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| Formula |
C22H16F3N3O3
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| Molecular Weight |
427.382
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| Canonical SMILES |
NC(=O)c1cccc(-c2ccnc3c2CC(C(=O)Nc2cccc(C(F)(F)F)c2)O3)c1
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| InChI |
InChI=1S/C22H16F3N3O3/c23-22(24,25)14-5-2-6-15(10-14)28-20(30)18-11-17-16(7-8-27-21(17)31-18)12-3-1-4-13(9-12)19(26)29/h1-10,18H,11H2,(H2,26,29)(H,28,30)
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| InChIKey |
BLACNFJOCFZJHH-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