General Information of the Compound
| Compound ID |
CP0447406
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| Compound Name |
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-2-methyl-5-phenyl-1-propylpyrrole-3-carboxamide
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| Structure |
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| Formula |
C31H42N4O
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| Molecular Weight |
486.704
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| Canonical SMILES |
CCCn1c(C)c(cc1-c1ccccc1)C(=O)NCCCCN1CCN(CC1)c1cccc(C)c1C
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| InChI |
InChI=1S/C31H42N4O/c1-5-17-35-26(4)28(23-30(35)27-13-7-6-8-14-27)31(36)32-16-9-10-18-33-19-21-34(22-20-33)29-15-11-12-24(2)25(29)3/h6-8,11-15,23H,5,9-10,16-22H2,1-4H3,(H,32,36)
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| InChIKey |
UQAWWWMXEVRWIO-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