General Information of the Compound
| Compound ID |
CP0575869
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| Compound Name |
US11136312, Compound SK-I-119
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| Structure |
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| Formula |
C22H27FN6
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| Molecular Weight |
394.498
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| Canonical SMILES |
CC(C)(C)Cc1nnc(Cc2c[nH]c3cc(F)ccc23)n1CCCc1c[nH]cn1
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| InChI |
InChI=1S/C22H27FN6/c1-22(2,3)11-21-28-27-20(29(21)8-4-5-17-13-24-14-26-17)9-15-12-25-19-10-16(23)6-7-18(15)19/h6-7,10,12-14,25H,4-5,8-9,11H2,1-3H3,(H,24,26)
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| InChIKey |
BMDUPTCQDDHGDE-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