General Information of the Compound
| Compound ID |
CP0537580
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| Compound Name |
CHEMBL4458893
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| Formula |
C26H25N3O5
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| Molecular Weight |
459.502
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| Canonical SMILES |
COc1ccc(cn1)C(=O)C1=C(O)C(=O)N(C1C1CCCCC1)c1ccc(cc1)-c1ccon1
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| InChI |
InChI=1S/C26H25N3O5/c1-33-21-12-9-18(15-27-21)24(30)22-23(17-5-3-2-4-6-17)29(26(32)25(22)31)19-10-7-16(8-11-19)20-13-14-34-28-20/h7-15,17,23,31H,2-6H2,1H3
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| InChIKey |
VINGOJRLECRAOW-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