General Information of the Compound
| Compound ID |
CP0720198
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| Compound Name |
SID7973720
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| Structure |
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| Formula |
C19H23N7O2S2
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| Molecular Weight |
445.574
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| Canonical SMILES |
CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1
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| InChI |
InChI=1S/C19H23N7O2S2/c1-29-19-21-14-3-2-13(12-15(14)30-19)20-16-22-17(25-4-8-27-9-5-25)24-18(23-16)26-6-10-28-11-7-26/h2-3,12H,4-11H2,1H3,(H,20,22,23,24)
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| InChIKey |
YRZLMZPVQMJPAK-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: PT02805, CREB-binding protein
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic