General Information of the Compound
| Compound ID |
CP0464621
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| Compound Name |
Biphenyl-4-carboxylic acid {4-[2-(4-benzyl-piperazin-1-yl)-ethylcarbamoyl]-3-methoxy-phenyl}-amide
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| Structure |
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| Formula |
C34H36N4O3
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| Molecular Weight |
548.687
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| Canonical SMILES |
COc1cc(NC(=O)c2ccc(cc2)-c2ccccc2)ccc1C(=O)NCCN1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C34H36N4O3/c1-41-32-24-30(36-33(39)29-14-12-28(13-15-29)27-10-6-3-7-11-27)16-17-31(32)34(40)35-18-19-37-20-22-38(23-21-37)25-26-8-4-2-5-9-26/h2-17,24H,18-23,25H2,1H3,(H,35,40)(H,36,39)
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| InChIKey |
FSFFCZITRFQQNJ-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