General Information of the Compound
| Compound ID |
CP0007011
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| Compound Name |
US9745291, Compound 124
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| Structure |
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| Formula |
C22H25N3O5
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| Molecular Weight |
411.458
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| Canonical SMILES |
OC(CNC(=O)COc1cccc2NC(=O)COc12)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C22H25N3O5/c26-17(12-25-9-8-15-4-1-2-5-16(15)11-25)10-23-20(27)13-29-19-7-3-6-18-22(19)30-14-21(28)24-18/h1-7,17,26H,8-14H2,(H,23,27)(H,24,28)
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| InChIKey |
UKCZGCZHQMQPGW-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