General Information of the Compound
| Compound ID |
CP0010208
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| Compound Name |
US9745291, Compound 92
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| Structure |
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| Formula |
C22H24N4O3
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| Molecular Weight |
392.459
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| Canonical SMILES |
OC(CNC(=O)COc1cccc2nccnc12)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C22H24N4O3/c27-18(14-26-11-8-16-4-1-2-5-17(16)13-26)12-25-21(28)15-29-20-7-3-6-19-22(20)24-10-9-23-19/h1-7,9-10,18,27H,8,11-15H2,(H,25,28)
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| InChIKey |
OJJCZUDKSHLHJQ-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