General Information of the Compound
| Compound ID |
CP0003842
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| Compound Name |
US9745291, Compound 86
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| Structure |
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| Formula |
C26H35N3O5
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| Molecular Weight |
469.582
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| Canonical SMILES |
O[C@@H](CNC(=O)COc1ccccc1OCCN1CCOCC1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C26H35N3O5/c30-23(19-29-10-9-21-5-1-2-6-22(21)18-29)17-27-26(31)20-34-25-8-4-3-7-24(25)33-16-13-28-11-14-32-15-12-28/h1-8,23,30H,9-20H2,(H,27,31)/t23-/m0/s1
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| InChIKey |
BXNXEQIJKQNNBX-QHCPKHFHSA-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