General Information of the Compound
| Compound ID |
CP0914751
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| Compound Name |
5-(4-Chlorophenyl)-N-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)propyl)-2-methyl-1H-pyrrole-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C27H34Cl2N4O
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| Molecular Weight |
501.502
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| Canonical SMILES |
Cc1cccc(N2CCN(CCCNC(=O)c3cc(-c4ccc(Cl)cc4)[nH]c3C)CC2)c1C.Cl
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| InChI |
InChI=1S/C27H33ClN4O.ClH/c1-19-6-4-7-26(20(19)2)32-16-14-31(15-17-32)13-5-12-29-27(33)24-18-25(30-21(24)3)22-8-10-23(28)11-9-22;/h4,6-11,18,30H,5,12-17H2,1-3H3,(H,29,33);1H
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| InChIKey |
XMJXEWWTSPGULA-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