General Information of the Compound
| Compound ID |
CP0857963
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| Compound Name |
SID92763381
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| Structure |
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| Formula |
C20H22N6O6S
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| Molecular Weight |
474.499
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| Canonical SMILES |
CCCCCCCCOC(=O)c1cc([N+](=O)[O-])c(Sc2[nH]cnc3ncnc2-3)c([N+](=O)[O-])c1
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| InChI |
InChI=1S/C20H22N6O6S/c1-2-3-4-5-6-7-8-32-20(27)13-9-14(25(28)29)17(15(10-13)26(30)31)33-19-16-18(22-11-21-16)23-12-24-19/h9-12H,2-8H2,1H3,(H,21,22,23,24)
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| InChIKey |
JWTQVITYOODVFM-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