General Information of the Compound
| Compound ID |
CP0579410
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| Compound Name |
US11136312, Compound SK-I-53
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| Structure |
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| Formula |
C25H26N6O
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| Molecular Weight |
426.524
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| Canonical SMILES |
COc1ccc2[nH]cc(Cc3nnc(Cc4ccccc4)n3CCCc3c[nH]cn3)c2c1
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| InChI |
InChI=1S/C25H26N6O/c1-32-21-9-10-23-22(14-21)19(15-27-23)13-25-30-29-24(12-18-6-3-2-4-7-18)31(25)11-5-8-20-16-26-17-28-20/h2-4,6-7,9-10,14-17,27H,5,8,11-13H2,1H3,(H,26,28)
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| InChIKey |
SUUYYGBYRVBMCY-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