General Information of the Compound
| Compound ID |
CP0860115
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| Compound Name |
2-cyclopropyl-N-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)propyl)-6-methylpyrimidine-4-carboxamide hydrochloride
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| Structure |
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| Formula |
C24H34ClN5O
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| Molecular Weight |
444.023
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| Canonical SMILES |
Cc1cc(C(=O)NCCCN2CCN(c3cccc(C)c3C)CC2)nc(C2CC2)n1.Cl
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| InChI |
InChI=1S/C24H33N5O.ClH/c1-17-6-4-7-22(19(17)3)29-14-12-28(13-15-29)11-5-10-25-24(30)21-16-18(2)26-23(27-21)20-8-9-20;/h4,6-7,16,20H,5,8-15H2,1-3H3,(H,25,30);1H
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| InChIKey |
KXPDUNKSCJWNNO-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