General Information of the Compound
| Compound ID |
CP0844939
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| Compound Name |
N-(3-(4-(2,3-Dichlorophenyl)piperazin-1-yl)propyl)-2-methyl-5-(pyridin-2-yl)-1H-pyrrole-3-carboxamide dihydrochloride
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| Structure |
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| Formula |
C24H31Cl6N5O
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| Molecular Weight |
618.264
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| Canonical SMILES |
Cc1[nH]c(-c2ccccn2)cc1C(=O)NCCCN1CCN(c2cccc(Cl)c2Cl)CC1.Cl.Cl.Cl.Cl
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| InChI |
InChI=1S/C24H27Cl2N5O.4ClH/c1-17-18(16-21(29-17)20-7-2-3-9-27-20)24(32)28-10-5-11-30-12-14-31(15-13-30)22-8-4-6-19(25)23(22)26;;;;/h2-4,6-9,16,29H,5,10-15H2,1H3,(H,28,32);4*1H
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| InChIKey |
VVNJPSKWLPMSHV-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