General Information of the Compound
| Compound ID |
CP0851117
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| Compound Name |
2-tert-butyl-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 |
C25H38ClN5O
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| Molecular Weight |
460.066
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| Canonical SMILES |
Cc1cc(C(=O)NCCCN2CCN(c3cccc(C)c3C)CC2)nc(C(C)(C)C)n1.Cl
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| InChI |
InChI=1S/C25H37N5O.ClH/c1-18-9-7-10-22(20(18)3)30-15-13-29(14-16-30)12-8-11-26-23(31)21-17-19(2)27-24(28-21)25(4,5)6;/h7,9-10,17H,8,11-16H2,1-6H3,(H,26,31);1H
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| InChIKey |
LQJWRYRUWJQOAL-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