General Information of the Compound
| Compound ID |
CP0503514
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| Compound Name |
((S)-1-Phenyl-ethyl)-{(S)-1-[2-(5-[1,2,4]triazol-1-ylmethyl-1H-indol-3-yl)-ethyl]-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 |
C[C@H](NC[C@@H]1CCN(CCc2c[nH]c3ccc(Cn4cncn4)cc23)C1)c1ccccc1
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| InChI |
InChI=1S/C26H32N6/c1-20(23-5-3-2-4-6-23)28-14-22-9-11-31(16-22)12-10-24-15-29-26-8-7-21(13-25(24)26)17-32-19-27-18-30-32/h2-8,13,15,18-20,22,28-29H,9-12,14,16-17H2,1H3/t20-,22-/m0/s1
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| InChIKey |
YFFOJTGAWSVILK-UNMCSNQZSA-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