General Information of the Compound
| Compound ID |
CP0721163
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| Compound Name |
SID24791345
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| Structure |
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| Formula |
C18H14N4O4S
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| Molecular Weight |
382.401
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| Canonical SMILES |
Cn1cnnc1Sc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1[N+](=O)[O-]
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| InChI |
InChI=1S/C18H14N4O4S/c1-21-11-19-20-18(21)27-17-9-3-12(10-15(17)22(25)26)2-8-16(24)13-4-6-14(23)7-5-13/h2-11,23H,1H3/b8-2+
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| InChIKey |
PVHHKNYFQPGGSN-KRXBUXKQSA-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