General Information of the Compound
| Compound ID |
CP0382792
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| Compound Name |
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1-piperidin-1-ylpyrrole-3-carboxamide
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| Structure |
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| Formula |
C30H38ClN5O
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| Molecular Weight |
520.121
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| Canonical SMILES |
Cc1c(cc(-c2ccccc2)n1N1CCCCC1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C30H38ClN5O/c1-24-28(23-29(25-10-4-2-5-11-25)36(24)35-16-6-3-7-17-35)30(37)32-14-9-15-33-18-20-34(21-19-33)27-13-8-12-26(31)22-27/h2,4-5,8,10-13,22-23H,3,6-7,9,14-21H2,1H3,(H,32,37)
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| InChIKey |
LFTMQJKIJXUZLM-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