General Information of the Compound
| Compound ID |
CP0857418
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| Compound Name |
SID56315014
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| Structure |
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| Formula |
C22H24ClF3N4O4S
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| Molecular Weight |
532.972
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| Canonical SMILES |
CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
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| InChI |
InChI=1S/C22H24ClF3N4O4S/c1-29(14-21(32)28-16-7-8-19(23)18(12-16)22(24,25)26)13-20(31)27-15-5-4-6-17(11-15)35(33,34)30-9-2-3-10-30/h4-8,11-12H,2-3,9-10,13-14H2,1H3,(H,27,31)(H,28,32)
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| InChIKey |
BHLPWXUVEDLOMI-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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3