General Information of the Compound
| Compound ID |
CP0382888
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| Compound Name |
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
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| Structure |
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| Formula |
C28H36N4O
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| Molecular Weight |
444.623
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| Canonical SMILES |
Cc1[nH]c(cc1C(=O)NCCCCN1CCN(CC1)c1cccc(C)c1C)-c1ccccc1
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| InChI |
InChI=1S/C28H36N4O/c1-21-10-9-13-27(22(21)2)32-18-16-31(17-19-32)15-8-7-14-29-28(33)25-20-26(30-23(25)3)24-11-5-4-6-12-24/h4-6,9-13,20,30H,7-8,14-19H2,1-3H3,(H,29,33)
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| InChIKey |
ZQHYSZHNEDNQGI-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