General Information of the Compound
| Compound ID |
CP0497234
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| Compound Name |
Biphenyl-4-carboxylic acid [4-(1-benzyl-piperidin-4-ylcarbamoyl)-3-methoxy-phenyl]-amide
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| Structure |
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| Formula |
C33H33N3O3
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| Molecular Weight |
519.645
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| Canonical SMILES |
COc1cc(NC(=O)c2ccc(cc2)-c2ccccc2)ccc1C(=O)NC1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C33H33N3O3/c1-39-31-22-29(35-32(37)27-14-12-26(13-15-27)25-10-6-3-7-11-25)16-17-30(31)33(38)34-28-18-20-36(21-19-28)23-24-8-4-2-5-9-24/h2-17,22,28H,18-21,23H2,1H3,(H,34,38)(H,35,37)
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| InChIKey |
WCZIRCBKZXVRQX-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