General Information of the Compound
| Compound ID |
CP0545524
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| Compound Name |
US11161839, Example 10e
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| Structure |
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| Formula |
C25H22ClN7O
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| Molecular Weight |
471.952
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| Canonical SMILES |
CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncc(cn1)C1CC1
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| InChI |
InChI=1S/C25H22ClN7O/c1-14(25-29-12-16(13-30-25)15-3-4-15)31-21-10-23(34)33(2)22-6-5-17(9-18(21)22)32-20-7-8-28-24(26)19(20)11-27/h5-10,12-15,31H,3-4H2,1-2H3,(H,28,32)
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| InChIKey |
FHLDBZWADXDVDT-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