General Information of the Compound
| Compound ID |
CP0553491
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| Compound Name |
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[[2-(3-methylphenyl)phenyl]methyl]pentanamide
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| Structure |
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| Formula |
C30H37N3O2
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| Molecular Weight |
471.645
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCC(=O)NCc2ccccc2-c2cccc(C)c2)CC1
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| InChI |
InChI=1S/C30H37N3O2/c1-24-10-9-12-25(22-24)27-13-4-3-11-26(27)23-31-30(34)16-7-8-17-32-18-20-33(21-19-32)28-14-5-6-15-29(28)35-2/h3-6,9-15,22H,7-8,16-21,23H2,1-2H3,(H,31,34)
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| InChIKey |
RBMLENGPJGLNFK-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