General Information of the Compound
| Compound ID |
CP0417094
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| Compound Name |
3-Methoxy-N-{3-(1-methyl-1H-pyrazol-5-yl)-4-[2-(4-(methylsulfonyl)piperazin-1-yl)ethoxy]phenyl}benzamide
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| Structure |
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| Formula |
C25H31N5O5S
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| Molecular Weight |
513.62
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| Canonical SMILES |
COc1cccc(c1)C(=O)Nc1ccc(OCCN2CCN(CC2)S(C)(=O)=O)c(c1)-c1ccnn1C
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| InChI |
InChI=1S/C25H31N5O5S/c1-28-23(9-10-26-28)22-18-20(27-25(31)19-5-4-6-21(17-19)34-2)7-8-24(22)35-16-15-29-11-13-30(14-12-29)36(3,32)33/h4-10,17-18H,11-16H2,1-3H3,(H,27,31)
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| InChIKey |
BNCLJFZXGJBOMA-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