General Information of the Compound
| Compound ID |
CP0526020
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| Compound Name |
6-{[(3-chlorophenyl)methyl]amino}-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C30H30ClN3O5
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| Molecular Weight |
548.039
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1nc(NCc2cccc(Cl)c2)ccc1C(=O)NCCOc1ccccc1
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| InChI |
InChI=1S/C30H30ClN3O5/c1-36-25-17-21(18-26(37-2)29(25)38-3)28-24(30(35)32-14-15-39-23-10-5-4-6-11-23)12-13-27(34-28)33-19-20-8-7-9-22(31)16-20/h4-13,16-18H,14-15,19H2,1-3H3,(H,32,35)(H,33,34)
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| InChIKey |
KPIGZSSKXOZWTD-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