General Information of the Compound
| Compound ID |
CP0316558
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| Compound Name |
1-(3-dimethylaminophenylcarboxamido)-4-methyl-3-[4-(2-pyridylmethoxy)phenylcarboxamido]benzene
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| Structure |
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| Formula |
C29H28N4O3
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| Molecular Weight |
480.568
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| Canonical SMILES |
CN(C)c1cccc(c1)C(=O)Nc1ccc(C)c(NC(=O)c2ccc(OCc3ccccn3)cc2)c1
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| InChI |
InChI=1S/C29H28N4O3/c1-20-10-13-23(31-29(35)22-7-6-9-25(17-22)33(2)3)18-27(20)32-28(34)21-11-14-26(15-12-21)36-19-24-8-4-5-16-30-24/h4-18H,19H2,1-3H3,(H,31,35)(H,32,34)
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| InChIKey |
SWSRBEFGWBCERT-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