General Information of the Compound
| Compound ID |
CP0879631
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| Compound Name |
4-(2-benzylpiperazin-1-yl)-N-methylaniline
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| Structure |
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| Formula |
C18H23N3
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| Molecular Weight |
281.403
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| Canonical SMILES |
CNc1ccc(N2CCNCC2Cc2ccccc2)cc1
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| InChI |
InChI=1S/C18H23N3/c1-19-16-7-9-17(10-8-16)21-12-11-20-14-18(21)13-15-5-3-2-4-6-15/h2-10,18-20H,11-14H2,1H3
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| InChIKey |
AMKBEJSLPSMHMK-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
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter