General Information of the Compound
| Compound ID |
CP0912473
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| Compound Name |
N-(2-(4-(2,3-Dichlorophenyl)piperazin-1-yl)ethyl)-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C25H29Cl3N4O
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| Molecular Weight |
507.893
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| Canonical SMILES |
Cc1[nH]c(-c2ccccc2)c(C)c1C(=O)NCCN1CCN(c2cccc(Cl)c2Cl)CC1.Cl
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| InChI |
InChI=1S/C25H28Cl2N4O.ClH/c1-17-22(18(2)29-24(17)19-7-4-3-5-8-19)25(32)28-11-12-30-13-15-31(16-14-30)21-10-6-9-20(26)23(21)27;/h3-10,29H,11-16H2,1-2H3,(H,28,32);1H
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| InChIKey |
JSWAKFCFHYGXHP-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