General Information of the Compound
| Compound ID |
CP0916425
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| Compound Name |
N-(3-(4-(2,3-Dichlorophenyl)piperazin-1-yl)propyl)-1,2-dimethyl-5-(pyridin-2-yl)-1H-pyrrole-3-carboxamide dihydrochloride
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| Structure |
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| Formula |
C25H33Cl6N5O
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| Molecular Weight |
632.291
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| Canonical SMILES |
Cc1c(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(-c2ccccn2)n1C.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C25H29Cl2N5O.4ClH/c1-18-19(17-23(30(18)2)21-8-3-4-10-28-21)25(33)29-11-6-12-31-13-15-32(16-14-31)22-9-5-7-20(26)24(22)27;;;;/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,29,33);4*1H
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| InChIKey |
VJCXQFZISDAORM-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