General Information of the Compound
| Compound ID |
CP0846632
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| Compound Name |
SID92763326
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| Structure |
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| Formula |
C14H16N8O6S
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| Molecular Weight |
424.399
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| Canonical SMILES |
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2C1OC(CO)C(O)C1O
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| InChI |
InChI=1S/C14H16N8O6S/c1-20-3-17-10(22(26)27)13(20)29-11-6-9(18-14(15)19-11)21(4-16-6)12-8(25)7(24)5(2-23)28-12/h3-5,7-8,12,23-25H,2H2,1H3,(H2,15,18,19)
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| InChIKey |
WJPLSTABBCGIQS-UHFFFAOYSA-N
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| CAS |
3384-61-0
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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