General Information of the Compound
| Compound ID |
CP0830716
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| Compound Name |
SID162403654
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| Structure |
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| Formula |
C19H26N6S
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| Molecular Weight |
370.526
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| Canonical SMILES |
Cc1cc(C)n(-c2nc(NCCN(C)C)c3c4c(sc3n2)CCCC4)n1
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| InChI |
InChI=1S/C19H26N6S/c1-12-11-13(2)25(23-12)19-21-17(20-9-10-24(3)4)16-14-7-5-6-8-15(14)26-18(16)22-19/h11H,5-10H2,1-4H3,(H,20,21,22)
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| InChIKey |
RXWNYEHHUIONND-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