General Information of the Compound
| Compound ID |
CP0553906
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| Compound Name |
N-[[2-(3-chlorophenyl)phenyl]methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
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| Structure |
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| Formula |
C29H34ClN3O2
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| Molecular Weight |
492.063
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C29H34ClN3O2/c1-35-28-14-5-4-13-27(28)33-19-17-32(18-20-33)16-7-6-15-29(34)31-22-24-9-2-3-12-26(24)23-10-8-11-25(30)21-23/h2-5,8-14,21H,6-7,15-20,22H2,1H3,(H,31,34)
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| InChIKey |
VURLZAAIOYATGZ-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