General Information of the Compound
| Compound ID |
CP0432600
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| Compound Name |
1-(4-N-methylpyrrolephenyl)-2-pyrrolidin-1-yl-pentan-1-one
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| Structure |
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| Formula |
C20H26N2O
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| Molecular Weight |
310.441
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| Canonical SMILES |
CCCC(N1CCCC1)C(=O)c1ccc(cc1)-c1cccn1C
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| InChI |
InChI=1S/C20H26N2O/c1-3-7-19(22-14-4-5-15-22)20(23)17-11-9-16(10-12-17)18-8-6-13-21(18)2/h6,8-13,19H,3-5,7,14-15H2,1-2H3
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| InChIKey |
ROXOOMBIDGERBZ-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