General Information of the Compound
| Compound ID |
CP0729818
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| Compound Name |
SID850961
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| Structure |
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| Formula |
C15H15BrN4O2S2
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| Molecular Weight |
427.349
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| Canonical SMILES |
Br.CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(O)cc3)n2)s1
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| InChI |
InChI=1S/C15H14N4O2S2.BrH/c1-8-13(23-15(16-8)17-9(2)20)12-7-22-14(19-12)18-10-3-5-11(21)6-4-10;/h3-7,21H,1-2H3,(H,18,19)(H,16,17,20);1H
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| InChIKey |
DJGXHBIIIGQGQO-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: PT06101, Latent membrane protein 1