General Information of the Compound
| Compound ID |
CP0194262
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| Compound Name |
(E)-3-(4-chloranyl-3-nitro-phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C15H10ClNO4
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| Molecular Weight |
303.701
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| Canonical SMILES |
Oc1ccc(cc1)C(=O)\C=C\c1ccc(Cl)c(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C15H10ClNO4/c16-13-7-1-10(9-14(13)17(20)21)2-8-15(19)11-3-5-12(18)6-4-11/h1-9,18H/b8-2+
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| InChIKey |
WQARQAQVDFDXCQ-KRXBUXKQSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor