General Information of the Compound
| Compound ID |
CP0485941
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| Compound Name |
CHEMBL201566
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| Formula |
C25H24ClNO4
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| Molecular Weight |
437.923
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| Canonical SMILES |
C\C(CO\C(O)=C1\C(C(C(O)=O)=C(C)N=C1C)c1cccc(Cl)c1)=C/c1ccccc1
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| InChI |
InChI=1S/C25H24ClNO4/c1-15(12-18-8-5-4-6-9-18)14-31-25(30)22-17(3)27-16(2)21(24(28)29)23(22)19-10-7-11-20(26)13-19/h4-13,23,30H,14H2,1-3H3,(H,28,29)/b15-12+,25-22+
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| InChIKey |
VIVLUFQYGHDDPU-XSUSWHJPSA-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