General Information of the Compound
| Compound ID |
CP0861033
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| Compound Name |
N-(3-(4-(2,3-Dichlorophenyl)piperazin-1-yl)propyl)-2,4-dimethyl-5-phenyl-1-propyl-1H-pyrrole-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C28H35Cl3N4O
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| Molecular Weight |
549.974
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| Canonical SMILES |
CCCn1c(C)c(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)c1-c1ccccc1.Cl
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| InChI |
InChI=1S/C28H34Cl2N4O.ClH/c1-4-14-34-21(3)25(20(2)27(34)22-9-6-5-7-10-22)28(35)31-13-15-32-16-18-33(19-17-32)24-12-8-11-23(29)26(24)30;/h5-12H,4,13-19H2,1-3H3,(H,31,35);1H
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| InChIKey |
ODUVRQPVBYEEGM-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