General Information of the Compound
| Compound ID |
CP0452562
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| Compound Name |
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1-piperidin-1-ylpyrrole-3-carboxamide
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| Structure |
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| Formula |
C32H43N5O
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| Molecular Weight |
513.73
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| Canonical SMILES |
Cc1c(cc(-c2ccccc2)n1N1CCCCC1)C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C
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| InChI |
InChI=1S/C32H43N5O/c1-25-12-10-15-30(26(25)2)35-22-20-34(21-23-35)17-11-16-33-32(38)29-24-31(28-13-6-4-7-14-28)37(27(29)3)36-18-8-5-9-19-36/h4,6-7,10,12-15,24H,5,8-9,11,16-23H2,1-3H3,(H,33,38)
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| InChIKey |
WKVATBBYNLTZNW-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