General Information of the Compound
| Compound ID |
CP0003308
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| Compound Name |
5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide
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| Structure |
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| Formula |
C22H29N3O
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| Molecular Weight |
351.494
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| Canonical SMILES |
CN1CCN(CCCCC(=O)Nc2ccc(cc2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C22H29N3O/c1-24-15-17-25(18-16-24)14-6-5-9-22(26)23-21-12-10-20(11-13-21)19-7-3-2-4-8-19/h2-4,7-8,10-13H,5-6,9,14-18H2,1H3,(H,23,26)
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| InChIKey |
WJPYNHYUEXNFHO-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