General Information of the Compound
| Compound ID |
CP0526445
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| Compound Name |
CHEMBL4228889
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| Formula |
C27H32N2O3
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| Molecular Weight |
432.564
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| Canonical SMILES |
COc1ccc2nccc(CC[C@H]3CC[C@@H](CC3)NCc3ccc4OCCOc4c3)c2c1
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| InChI |
InChI=1S/C27H32N2O3/c1-30-23-9-10-25-24(17-23)21(12-13-28-25)6-2-19-3-7-22(8-4-19)29-18-20-5-11-26-27(16-20)32-15-14-31-26/h5,9-13,16-17,19,22,29H,2-4,6-8,14-15,18H2,1H3/t19-,22-
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| InChIKey |
SZLUVXWEDWIQBZ-XYWHTSSQSA-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