General Information of the Compound
| Compound ID |
CP0466559
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| Compound Name |
4-[4-[[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]carbamoyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C27H28N2O3
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| Molecular Weight |
428.532
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| Canonical SMILES |
CN(C)CC1CCc2cc(NC(=O)c3ccc(cc3)-c3ccc(cc3)C(O)=O)ccc2C1
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| InChI |
InChI=1S/C27H28N2O3/c1-29(2)17-18-3-4-24-16-25(14-13-23(24)15-18)28-26(30)21-9-5-19(6-10-21)20-7-11-22(12-8-20)27(31)32/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30)(H,31,32)
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| InChIKey |
XZVWWFWTYRYEDX-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