General Information of the Compound
| Compound ID |
CP0406984
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| Compound Name |
3-(3,4-Dihydroxy-phenyl)-1-(4-nitro-phenyl)-propenone
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| Structure |
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| Formula |
C15H11NO5
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| Molecular Weight |
285.255
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| Canonical SMILES |
Oc1ccc(\C=C\C(=O)c2ccc(cc2)[N+]([O-])=O)cc1O
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| InChI |
InChI=1S/C15H11NO5/c17-13(11-3-5-12(6-4-11)16(20)21)7-1-10-2-8-14(18)15(19)9-10/h1-9,18-19H/b7-1+
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| InChIKey |
RLTLXMGEFXLIFE-LREOWRDNSA-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