General Information of the Compound
| Compound ID |
CP0449880
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| Compound Name |
(E)-1-(5-nitro-2-furyl)-3-(o-tolyl)prop-2-en-1-one
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| Structure |
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| Formula |
C14H11NO4
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| Molecular Weight |
257.245
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| Canonical SMILES |
Cc1ccccc1\C=C\C(=O)c1ccc(o1)[N+]([O-])=O
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| InChI |
InChI=1S/C14H11NO4/c1-10-4-2-3-5-11(10)6-7-12(16)13-8-9-14(19-13)15(17)18/h2-9H,1H3/b7-6+
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| InChIKey |
VDSCLTOCMXBRKP-VOTSOKGWSA-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
Protein ID: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3