General Information of the Compound
| Compound ID |
CP0916529
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| Compound Name |
5-(4-Chlorophenyl)-N-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)propyl)-2-methyl-1-propyl-1H-pyrrole-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C30H40Cl2N4O
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| Molecular Weight |
543.583
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| Canonical SMILES |
CCCn1c(-c2ccc(Cl)cc2)cc(C(=O)NCCCN2CCN(c3cccc(C)c3C)CC2)c1C.Cl
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| InChI |
InChI=1S/C30H39ClN4O.ClH/c1-5-15-35-24(4)27(21-29(35)25-10-12-26(31)13-11-25)30(36)32-14-7-16-33-17-19-34(20-18-33)28-9-6-8-22(2)23(28)3;/h6,8-13,21H,5,7,14-20H2,1-4H3,(H,32,36);1H
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| InChIKey |
LMNFUDPLNOKROB-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