General Information of the Compound
| Compound ID |
CP0755622
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| Compound Name |
SID49824643
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| Structure |
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| Formula |
C13H11N5O3S
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| Molecular Weight |
317.33
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| Canonical SMILES |
Cn1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C#N)CCC3)n1
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| InChI |
InChI=1S/C13H11N5O3S/c1-17-6-9(18(20)21)11(16-17)12(19)15-13-8(5-14)7-3-2-4-10(7)22-13/h6H,2-4H2,1H3,(H,15,19)
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| InChIKey |
LZUWNWZHRCULMD-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