General Information of the Compound
| Compound ID |
CP0864532
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| Compound Name |
SID49819753
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| Structure |
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| Formula |
C25H27ClN6O2S
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| Molecular Weight |
511.051
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| Canonical SMILES |
Cn1c(CCN2CCN(c3ccccn3)CC2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21
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| InChI |
InChI=1S/C25H27ClN6O2S/c1-30-23-10-7-20(29-35(33,34)21-8-5-19(26)6-9-21)18-22(23)28-25(30)11-13-31-14-16-32(17-15-31)24-4-2-3-12-27-24/h2-10,12,18,29H,11,13-17H2,1H3
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| InChIKey |
LOFXXYCHBQBDNW-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