General Information of the Compound
| Compound ID |
CP0885563
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| Compound Name |
SID103050557
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| Structure |
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| Formula |
C26H25N5O2S
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| Molecular Weight |
471.586
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| Canonical SMILES |
COc1ccc(-c2cc(CNc3nc(NC(C)C)nc4cc(-c5ccccc5)sc34)on2)cc1
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| InChI |
InChI=1S/C26H25N5O2S/c1-16(2)28-26-29-22-14-23(18-7-5-4-6-8-18)34-24(22)25(30-26)27-15-20-13-21(31-33-20)17-9-11-19(32-3)12-10-17/h4-14,16H,15H2,1-3H3,(H2,27,28,29,30)
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| InChIKey |
MUUGOTKUGUZFHS-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8