General Information of the Compound
| Compound ID |
CP0867315
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| Compound Name |
SID99359317
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| Structure |
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| Formula |
C35H47F3N4O7S
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| Molecular Weight |
724.843
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| Canonical SMILES |
Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2
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| InChI |
InChI=1S/C35H47F3N4O7S/c1-22-18-42(23(2)21-43)34(44)30-17-29(40-50(45,46)33-25(4)39-49-26(33)5)14-15-31(30)48-24(3)9-7-8-16-47-32(22)20-41(6)19-27-10-12-28(13-11-27)35(36,37)38/h10-15,17,22-24,32,40,43H,7-9,16,18-21H2,1-6H3/t22-,23-,24-,32+/m0/s1
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| InChIKey |
CBAAPWVHONFTKW-OMFJNPMTSA-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