General Information of the Compound
| Compound ID |
CP0485945
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| Compound Name |
CHEMBL202374
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| Formula |
C25H25NO4
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| Molecular Weight |
403.478
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| Canonical SMILES |
CC1=NC(C)=C(C(\C1=C(/O)OC\C=C\c1ccccc1)c1cccc(C)c1)C(O)=O
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| InChI |
InChI=1S/C25H25NO4/c1-16-9-7-13-20(15-16)23-21(24(27)28)17(2)26-18(3)22(23)25(29)30-14-8-12-19-10-5-4-6-11-19/h4-13,15,23,29H,14H2,1-3H3,(H,27,28)/b12-8+,25-22+
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| InChIKey |
PCEJWTDHGBEYCE-FPHPFGGXSA-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