General Information of the Compound
| Compound ID |
CP0939941
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| Compound Name |
1-[2-[(2R)-2-hydroxy-3-(4-nitroanilino)propoxy]phenyl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C24H24N2O5
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| Molecular Weight |
420.465
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| Canonical SMILES |
O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CNc1ccc([N+](=O)[O-])cc1
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| InChI |
InChI=1S/C24H24N2O5/c27-21(16-25-19-11-13-20(14-12-19)26(29)30)17-31-24-9-5-4-8-22(24)23(28)15-10-18-6-2-1-3-7-18/h1-9,11-14,21,25,27H,10,15-17H2/t21-/m1/s1
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| InChIKey |
CSJBPSQOOWBUDQ-OAQYLSRUSA-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