General Information of the Compound
| Compound ID |
CP0564296
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| Compound Name |
US11161839, Example 10a
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| Structure |
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| Formula |
C26H24ClN7O
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| Molecular Weight |
485.979
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| Canonical SMILES |
Cn1c2ccc(Nc3ccnc(Cl)c3C#N)cc2c(NC(C)(C)c2ncc(cn2)C2CC2)cc1=O
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| InChI |
InChI=1S/C26H24ClN7O/c1-26(2,25-30-13-16(14-31-25)15-4-5-15)33-21-11-23(35)34(3)22-7-6-17(10-18(21)22)32-20-8-9-29-24(27)19(20)12-28/h6-11,13-15,33H,4-5H2,1-3H3,(H,29,32)
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| InChIKey |
NSEPTCJLWMVQFB-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