General Information of the Compound
| Compound ID |
CP0459931
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| Compound Name |
4-(4-cyanophenyl)-N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzamide
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| Structure |
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| Formula |
C27H27N3O
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| Molecular Weight |
409.533
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| Canonical SMILES |
CN(C)CC1CCc2cc(NC(=O)c3ccc(cc3)-c3ccc(cc3)C#N)ccc2C1
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| InChI |
InChI=1S/C27H27N3O/c1-30(2)18-20-5-8-25-16-26(14-13-24(25)15-20)29-27(31)23-11-9-22(10-12-23)21-6-3-19(17-28)4-7-21/h3-4,6-7,9-14,16,20H,5,8,15,18H2,1-2H3,(H,29,31)
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| InChIKey |
YNCROYLESYGTGO-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