General Information of the Compound
| Compound ID |
CP0010803
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| Compound Name |
US9745291, Compound 48
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| Structure |
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| Formula |
C27H32N4O4
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| Molecular Weight |
476.577
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| Canonical SMILES |
OC(CNC(=O)COc1cccc2ccc(nc12)N1CCOCC1)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C27H32N4O4/c32-23(18-30-11-10-20-4-1-2-5-22(20)17-30)16-28-26(33)19-35-24-7-3-6-21-8-9-25(29-27(21)24)31-12-14-34-15-13-31/h1-9,23,32H,10-19H2,(H,28,33)
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| InChIKey |
PPQNVYHXOFBLNC-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