General Information of the Compound
| Compound ID |
CP0010209
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| Compound Name |
US9745291, Compound 94
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| Structure |
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| Formula |
C28H34N4O4
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| Molecular Weight |
490.604
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| Canonical SMILES |
O[C@@H](CNC(=O)COc1c(CN2CCOCC2)ccc2cccnc12)CN1CCc2ccccc2C1
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| InChI |
InChI=1S/C28H34N4O4/c33-25(19-32-11-9-21-4-1-2-5-23(21)17-32)16-30-26(34)20-36-28-24(18-31-12-14-35-15-13-31)8-7-22-6-3-10-29-27(22)28/h1-8,10,25,33H,9,11-20H2,(H,30,34)/t25-/m0/s1
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| InChIKey |
IWYOGMGHJHUMGH-VWLOTQADSA-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