General Information of the Compound
| Compound ID |
CP0511172
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| Compound Name |
Benzyl-methyl-{(S)-1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-pyrrolidin-3-ylmethyl}-amine
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| Structure |
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| Formula |
C26H32N6
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| Molecular Weight |
428.584
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| Canonical SMILES |
CN(C[C@@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)Cc1ccccc1
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| InChI |
InChI=1S/C26H32N6/c1-30(16-21-6-3-2-4-7-21)17-22-11-13-31(18-22)12-5-8-23-15-27-26-10-9-24(14-25(23)26)32-19-28-29-20-32/h2-4,6-7,9-10,14-15,19-20,22,27H,5,8,11-13,16-18H2,1H3/t22-/m0/s1
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| InChIKey |
FEUQZNJJBAXHIW-QFIPXVFZSA-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