General Information of the Compound
| Compound ID |
CP0908464
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| Compound Name |
SID99454630
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| Structure |
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| Formula |
C18H21F3N4OS
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| Molecular Weight |
398.454
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| Canonical SMILES |
NC(c1csc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1)C1CCCCC1
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| InChI |
InChI=1S/C18H21F3N4OS/c19-18(20,21)12-7-4-8-13(9-12)23-16(26)25-17-24-14(10-27-17)15(22)11-5-2-1-3-6-11/h4,7-11,15H,1-3,5-6,22H2,(H2,23,24,25,26)
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| InChIKey |
BANJGAPGMMBSJO-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