General Information of the Compound
| Compound ID |
CP0416745
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| Compound Name |
CHEMBL4226360
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| Formula |
C25H28Cl2N2O
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| Molecular Weight |
443.418
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| Canonical SMILES |
COc1ccc2nccc(CC[C@H]3CC[C@@H](CC3)NCc3ccc(Cl)c(Cl)c3)c2c1
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| InChI |
InChI=1S/C25H28Cl2N2O/c1-30-21-9-11-25-22(15-21)19(12-13-28-25)6-2-17-3-7-20(8-4-17)29-16-18-5-10-23(26)24(27)14-18/h5,9-15,17,20,29H,2-4,6-8,16H2,1H3/t17-,20-
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| InChIKey |
SHXDNZIJFMHZAE-IRJFHVNHSA-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