General Information of the Compound
| Compound ID |
CP0202855
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| Compound Name |
1-(3-dimethylaminophenylcarboxamido)-3-(4-isopropoxyphenylcarboxamido)-4-methylbenzene
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| Structure |
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| Formula |
C26H29N3O3
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| Molecular Weight |
431.536
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| Canonical SMILES |
CC(C)Oc1ccc(cc1)C(=O)Nc1cc(NC(=O)c2cccc(c2)N(C)C)ccc1C
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| InChI |
InChI=1S/C26H29N3O3/c1-17(2)32-23-13-10-19(11-14-23)25(30)28-24-16-21(12-9-18(24)3)27-26(31)20-7-6-8-22(15-20)29(4)5/h6-17H,1-5H3,(H,27,31)(H,28,30)
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| InChIKey |
LKYAZIWQMLWADO-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