General Information of the Compound
| Compound ID |
CP0373841
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| Compound Name |
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1,2-dimethyl-5-phenylpyrrole-3-carboxamide
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| Structure |
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| Formula |
C29H38N4O
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| Molecular Weight |
458.65
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| Canonical SMILES |
Cc1c(cc(-c2ccccc2)n1C)C(=O)NCCCCN1CCN(CC1)c1cccc(C)c1C
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| InChI |
InChI=1S/C29H38N4O/c1-22-11-10-14-27(23(22)2)33-19-17-32(18-20-33)16-9-8-15-30-29(34)26-21-28(31(4)24(26)3)25-12-6-5-7-13-25/h5-7,10-14,21H,8-9,15-20H2,1-4H3,(H,30,34)
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| InChIKey |
DUUOOYKRZBNLGD-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00871, Sodium-dependent serotonin transporter