General Information of the Compound
| Compound ID |
CP0382380
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| Compound Name |
3-(4-hydroxyphenyl)-2-[(E)-2-(5-nitro-2-furanyl)ethenyl]-4-quinazolinone
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| Structure |
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| Formula |
C20H13N3O5
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| Molecular Weight |
375.34
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| Canonical SMILES |
Oc1ccc(cc1)-n1c(\C=C\c2ccc(o2)[N+]([O-])=O)nc2ccccc2c1=O
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| InChI |
InChI=1S/C20H13N3O5/c24-14-7-5-13(6-8-14)22-18(11-9-15-10-12-19(28-15)23(26)27)21-17-4-2-1-3-16(17)20(22)25/h1-12,24H/b11-9+
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| InChIKey |
XCJROHKHSORARX-PKNBQFBNSA-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
Protein ID: PT06172, Mothers against decapentaplegic homolog 3