General Information of the Compound
| Compound ID |
CP0916426
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| Compound Name |
N-(3-(4-(2,3-Dichlorophenyl)piperazin-1-yl)propyl)-2-methyl-1-propyl-5-(pyridin-2-yl)-1H-pyrrole-3-carboxamide dihydrochloride
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| Structure |
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| Formula |
C27H37Cl6N5O
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| Molecular Weight |
660.345
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| Canonical SMILES |
CCCn1c(-c2ccccn2)cc(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1C.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C27H33Cl2N5O.4ClH/c1-3-13-34-20(2)21(19-25(34)23-9-4-5-11-30-23)27(35)31-12-7-14-32-15-17-33(18-16-32)24-10-6-8-22(28)26(24)29;;;;/h4-6,8-11,19H,3,7,12-18H2,1-2H3,(H,31,35);4*1H
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| InChIKey |
LPQDPPUUJMDKDK-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00871, Sodium-dependent serotonin transporter