General Information of the Compound
| Compound ID |
CP0418379
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| Compound Name |
Benzyl-methyl-{(R)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-ethyl]-pyrrolidin-3-yl}-amine
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| Structure |
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| Formula |
C24H28N6
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| Molecular Weight |
400.53
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| Canonical SMILES |
CN(Cc1ccccc1)[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1
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| InChI |
InChI=1S/C24H28N6/c1-28(15-19-5-3-2-4-6-19)22-10-12-29(16-22)11-9-20-14-25-24-8-7-21(13-23(20)24)30-17-26-27-18-30/h2-8,13-14,17-18,22,25H,9-12,15-16H2,1H3/t22-/m1/s1
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| InChIKey |
DGNFGNOCBIOZCU-JOCHJYFZSA-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D