General Information of the Compound
| Compound ID |
CP0518022
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| Compound Name |
CHEMBL382629
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| Formula |
C22H21NO5
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| Molecular Weight |
379.412
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| Canonical SMILES |
CC1=NC(C)=C(C(c2ccoc2)\C1=C(/O)OC\C=C\c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C22H21NO5/c1-14-18(21(24)25)20(17-10-12-27-13-17)19(15(2)23-14)22(26)28-11-6-9-16-7-4-3-5-8-16/h3-10,12-13,20,26H,11H2,1-2H3,(H,24,25)/b9-6+,22-19+
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| InChIKey |
CMXPIYUVBNIVHO-PBFFYVTQSA-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