General Information of the Compound
| Compound ID |
CP0814030
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| Compound Name |
SID24816137
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| Structure |
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| Formula |
C14H12N2O3S
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| Molecular Weight |
288.328
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| Canonical SMILES |
CN(C(=O)/C=C/c1ccc([N+](=O)[O-])s1)c1ccccc1
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| InChI |
InChI=1S/C14H12N2O3S/c1-15(11-5-3-2-4-6-11)13(17)9-7-12-8-10-14(20-12)16(18)19/h2-10H,1H3/b9-7+
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| InChIKey |
LSVNVLOIUFOODK-VQHVLOKHSA-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: PT06172, Mothers against decapentaplegic homolog 3