General Information of the Compound
| Compound ID |
CP0573586
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| Compound Name |
US11161839, Example 11i
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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 |
CC(Nc1cc(=O)n(CC2CCC2)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncccn1
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| InChI |
InChI=1S/C26H24ClN7O/c1-16(26-30-9-3-10-31-26)32-22-13-24(35)34(15-17-4-2-5-17)23-7-6-18(12-19(22)23)33-21-8-11-29-25(27)20(21)14-28/h3,6-13,16-17,32H,2,4-5,15H2,1H3,(H,29,33)
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| InChIKey |
YDNPPPHHDQJDAV-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