General Information of the Compound
| Compound ID |
CP0688004
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| Compound Name |
SID92764049
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| Structure |
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| Formula |
C14H16N8O5S
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| Molecular Weight |
408.4
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| Canonical SMILES |
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
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| InChI |
InChI=1S/C14H16N8O5S/c1-20-4-17-11(22(25)26)13(20)28-12-9-10(18-14(15)19-12)21(5-16-9)8-2-6(24)7(3-23)27-8/h4-8,23-24H,2-3H2,1H3,(H2,15,18,19)/t6-,7+,8+/m0/s1
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| InChIKey |
VQKNUOXJMSCJLJ-XLPZGREQSA-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