General Information of the Compound
| Compound ID |
CP0869065
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| Compound Name |
(4-Phenylphenyl)N-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]-butyl]carbamate Hydrochloride
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| Structure |
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| Formula |
C28H34ClN3O3
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| Molecular Weight |
496.051
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)Oc2ccc(-c3ccccc3)cc2)CC1.Cl
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| InChI |
InChI=1S/C28H33N3O3.ClH/c1-33-27-12-6-5-11-26(27)31-21-19-30(20-22-31)18-8-7-17-29-28(32)34-25-15-13-24(14-16-25)23-9-3-2-4-10-23;/h2-6,9-16H,7-8,17-22H2,1H3,(H,29,32);1H
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| InChIKey |
LYQHTQQHVDTHKW-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