General Information of the Compound
| Compound ID |
CP0462805
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| Compound Name |
CHEMBL382450
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| Formula |
C24H22N2O6
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| Molecular Weight |
434.448
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| Canonical SMILES |
CC1=NC(C)=C(C(\C1=C(/O)OC\C=C\c1ccccc1)c1ccc(cc1)[N+]([O-])=O)C(O)=O
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| InChI |
InChI=1S/C24H22N2O6/c1-15-20(23(27)28)22(18-10-12-19(13-11-18)26(30)31)21(16(2)25-15)24(29)32-14-6-9-17-7-4-3-5-8-17/h3-13,22,29H,14H2,1-2H3,(H,27,28)/b9-6+,24-21+
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| InChIKey |
ACGHEWAAABJPII-CSCOHQSASA-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