General Information of the Compound
| Compound ID |
CP0855954
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| Compound Name |
SID87550735
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| Structure |
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| Formula |
C16H15N3O8S
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| Molecular Weight |
409.376
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| Canonical SMILES |
Cn1cccc1C(=O)NC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1
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| InChI |
InChI=1S/C16H15N3O8S/c1-18-7-3-4-11(18)15(21)17-14(20)9-27-16(22)10-5-6-13(28(2,25)26)12(8-10)19(23)24/h3-8H,9H2,1-2H3,(H,17,20,21)
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| InChIKey |
TUMSBAZVIAWQKX-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: PT06033, Microphthalmia-associated transcription factor