General Information of the Compound
| Compound ID |
CP0416966
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| Compound Name |
2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]-3-pyridin-3-ylpropanamide
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| Structure |
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| Formula |
C23H28N4O3
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| Molecular Weight |
408.502
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| Canonical SMILES |
COc1ccc(cc1OC)C(Cc1cccnc1)C(=O)NCCCn1cncc1C
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| InChI |
InChI=1S/C23H28N4O3/c1-17-14-25-16-27(17)11-5-10-26-23(28)20(12-18-6-4-9-24-15-18)19-7-8-21(29-2)22(13-19)30-3/h4,6-9,13-16,20H,5,10-12H2,1-3H3,(H,26,28)
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| InChIKey |
SDXQVEGPKFOXAU-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