General Information of the Compound
| Compound ID |
CP0007016
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| Compound Name |
US9777008, Compound 164
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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)c2cccnn2)c1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C23H24N4O3/c28-20(15-27-12-10-17-5-1-2-6-18(17)14-27)16-30-21-8-3-7-19(13-21)25-23(29)22-9-4-11-24-26-22/h1-9,11,13,20,28H,10,12,14-16H2,(H,25,29)
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| InChIKey |
LUWACMKNDCXSOW-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