General Information of the Compound
| Compound ID |
CP0861030
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| Compound Name |
1,2-Dimethyl-5-phenyl-N-(3-(4-(pyridin-4-yl)piperazin-1-yl)propyl)-1H-pyrrole-3-carboxamide dihydrochloride
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| Structure |
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| Formula |
C25H33Cl2N5O
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| Molecular Weight |
490.479
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| Canonical SMILES |
Cc1c(C(=O)NCCCN2CCN(c3ccncc3)CC2)cc(-c2ccccc2)n1C.Cl.Cl
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| InChI |
InChI=1S/C25H31N5O.2ClH/c1-20-23(19-24(28(20)2)21-7-4-3-5-8-21)25(31)27-11-6-14-29-15-17-30(18-16-29)22-9-12-26-13-10-22;;/h3-5,7-10,12-13,19H,6,11,14-18H2,1-2H3,(H,27,31);2*1H
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| InChIKey |
DYASBLFKQRHGMH-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