General Information of the Compound
| Compound ID |
CP0301336
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| Compound Name |
N-[[4-[5-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]pentoxy]phenyl]methyl]-N-methylprop-2-yn-1-amine
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| Formula |
C34H40N4O3S
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| Molecular Weight |
584.786
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| Canonical SMILES |
CN(CC#C)Cc1ccc(OCCCCCN2CCN(CC2)c2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C34H40N4O3S/c1-3-20-35(2)28-29-15-17-30(18-16-29)41-27-9-5-8-21-36-23-25-37(26-24-36)33-13-10-14-34-32(33)19-22-38(34)42(39,40)31-11-6-4-7-12-31/h1,4,6-7,10-19,22H,5,8-9,20-21,23-28H2,2H3
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| InChIKey |
CUFJQHNVDRIQJL-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor