General Information of the Compound
| Compound ID |
CP0011937
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| Compound Name |
US9777008, Compound 161
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| Structure |
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| Formula |
C23H24N4O3
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| Molecular Weight |
404.47
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| Canonical SMILES |
OC(COc1cccc(NC(=O)c2cncnc2)c1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C23H24N4O3/c28-21(14-27-9-8-17-4-1-2-5-18(17)13-27)15-30-22-7-3-6-20(10-22)26-23(29)19-11-24-16-25-12-19/h1-7,10-12,16,21,28H,8-9,13-15H2,(H,26,29)
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| InChIKey |
COGWFSGRMVMLNG-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