General Information of the Compound
| Compound ID |
CP0522007
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| Compound Name |
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
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| Structure |
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| Formula |
C33H37FN4O
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| Molecular Weight |
524.684
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| Canonical SMILES |
Cc1c(cc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
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| InChI |
InChI=1S/C33H37FN4O/c1-24-9-7-12-31(25(24)2)37-21-19-36(20-22-37)18-8-17-35-33(39)30-23-32(27-10-5-4-6-11-27)38(26(30)3)29-15-13-28(34)14-16-29/h4-7,9-16,23H,8,17-22H2,1-3H3,(H,35,39)
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| InChIKey |
XXLRZXFIYXHDKX-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