General Information of the Compound
| Compound ID |
CP0456891
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| Compound Name |
Acridin-9-yl-(4-chloro-phenyl)-acetic acid methyl ester
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| Structure |
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| Formula |
C22H16ClNO2
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| Molecular Weight |
361.828
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| Canonical SMILES |
COC(=O)C(c1ccc(Cl)cc1)c1c2ccccc2nc2ccccc12
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| InChI |
InChI=1S/C22H16ClNO2/c1-26-22(25)20(14-10-12-15(23)13-11-14)21-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)21/h2-13,20H,1H3
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| InChIKey |
DRTRYUZPVGYJKT-UHFFFAOYSA-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