General Information of the Compound
| Compound ID |
CP0496451
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| Compound Name |
N-[2-(4-benzylpiperazin-1-yl)-2-methylpropyl]aniline
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| Structure |
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| Formula |
C21H29N3
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| Molecular Weight |
323.484
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| Canonical SMILES |
CC(C)(CNc1ccccc1)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C21H29N3/c1-21(2,18-22-20-11-7-4-8-12-20)24-15-13-23(14-16-24)17-19-9-5-3-6-10-19/h3-12,22H,13-18H2,1-2H3
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| InChIKey |
TZTREUMGTASECC-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