General Information of the Compound
| Compound ID |
CP0456378
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| Compound Name |
CHEMBL4127133
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| Formula |
C27H21N3O5
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| Molecular Weight |
467.481
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| Canonical SMILES |
COc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccccc1)c1ccc(cc1)-c1noc(C)n1
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| InChI |
InChI=1S/C27H21N3O5/c1-16-28-26(29-35-16)19-8-12-20(13-9-19)30-23(17-6-4-3-5-7-17)22(25(32)27(30)33)24(31)18-10-14-21(34-2)15-11-18/h3-15,23,32H,1-2H3
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| InChIKey |
YBDNVECAHHTEFH-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