General Information of the Compound
| Compound ID |
CP0429858
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| Compound Name |
N-(cyclopropylmethyl)-1-methyl-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyrazole-4-sulfonamide
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| Structure |
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| Formula |
C24H36N4O3S
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| Molecular Weight |
460.644
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| Canonical SMILES |
CC(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1cnn(C)c1
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| InChI |
InChI=1S/C24H36N4O3S/c1-19(2)23-6-4-5-7-24(23)31-15-14-27-12-10-21(11-13-27)28(17-20-8-9-20)32(29,30)22-16-25-26(3)18-22/h4-7,16,18-21H,8-15,17H2,1-3H3
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| InChIKey |
JOXBOGQPSLSFIM-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor