General Information of the Compound
| Compound ID |
CP0382793
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| Compound Name |
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
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| Structure |
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| Formula |
C31H32ClFN4O
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| Molecular Weight |
531.075
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| Canonical SMILES |
Cc1c(cc(-c2ccccc2)n1-c1ccc(F)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C31H32ClFN4O/c1-23-29(22-30(24-7-3-2-4-8-24)37(23)27-13-11-26(33)12-14-27)31(38)34-15-6-16-35-17-19-36(20-18-35)28-10-5-9-25(32)21-28/h2-5,7-14,21-22H,6,15-20H2,1H3,(H,34,38)
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| InChIKey |
SFAXUTJKZSKGCN-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