General Information of the Compound
| Compound ID |
CP0574276
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| Compound Name |
US11136312, Compound SK-I-57
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| Structure |
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| Formula |
C26H25F3N6O
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| Molecular Weight |
494.521
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| Canonical SMILES |
COc1ccc2[nH]cc(Cc3nnc(Cc4cccc(c4)C(F)(F)F)n3CCCc3c[nH]cn3)c2c1
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| InChI |
InChI=1S/C26H25F3N6O/c1-36-21-7-8-23-22(13-21)18(14-31-23)12-25-34-33-24(35(25)9-3-6-20-15-30-16-32-20)11-17-4-2-5-19(10-17)26(27,28)29/h2,4-5,7-8,10,13-16,31H,3,6,9,11-12H2,1H3,(H,30,32)
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| InChIKey |
FWYGJAUWVCVBHP-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