General Information of the Compound
| Compound ID |
CP0733346
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| Compound Name |
SID51088957
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| Structure |
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| Formula |
C14H15ClN4O5S
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| Molecular Weight |
386.817
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| Canonical SMILES |
CN1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])o3)c2C(N)=O)C1.Cl
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| InChI |
InChI=1S/C14H14N4O5S.ClH/c1-17-5-4-7-9(6-17)24-14(11(7)12(15)19)16-13(20)8-2-3-10(23-8)18(21)22;/h2-3H,4-6H2,1H3,(H2,15,19)(H,16,20);1H
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| InChIKey |
DHJZPZSPKUWRMG-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: PT06124, Paired box protein Pax-8