General Information of the Compound
| Compound ID |
CP0638254
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| Compound Name |
1-Acetyl-piperidine-4-carboxylic acid methyl-[4'-methyl-5-(1-pyrazin-2-yl-ethylcarbamoyl)-biphenyl-3-yl]-amide
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| Structure |
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| Formula |
C29H33N5O3
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| Molecular Weight |
499.615
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| Canonical SMILES |
CC(=O)N1CCC(C(=O)N(C)c2cc(C(=O)NC(C)c3cnccn3)cc(-c3ccc(C)cc3)c2)CC1
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| InChI |
InChI=1S/C29H33N5O3/c1-19-5-7-22(8-6-19)24-15-25(28(36)32-20(2)27-18-30-11-12-31-27)17-26(16-24)33(4)29(37)23-9-13-34(14-10-23)21(3)35/h5-8,11-12,15-18,20,23H,9-10,13-14H2,1-4H3,(H,32,36)
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| InChIKey |
OHCLNHIEMZEGBQ-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