General Information of the Compound
| Compound ID |
CP0373830
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| Compound Name |
1-benzyl-N-(3-(4-(3-chlorophenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
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| Structure |
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| Formula |
C32H35ClN4O
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| Molecular Weight |
527.112
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| Canonical SMILES |
Cc1c(cc(-c2ccccc2)n1Cc1ccccc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C32H35ClN4O/c1-25-30(23-31(27-12-6-3-7-13-27)37(25)24-26-10-4-2-5-11-26)32(38)34-16-9-17-35-18-20-36(21-19-35)29-15-8-14-28(33)22-29/h2-8,10-15,22-23H,9,16-21,24H2,1H3,(H,34,38)
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| InChIKey |
MAOOLDXOCHBHKI-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