General Information of the Compound
| Compound ID |
CP0376850
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| Compound Name |
Benzyl-{(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 |
C25H30N6
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| Molecular Weight |
414.557
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| Canonical SMILES |
C(Cc1c[nH]c2ccc(Cn3cncn3)cc12)N1CC[C@@H](CNCc2ccccc2)C1
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| InChI |
InChI=1S/C25H30N6/c1-2-4-20(5-3-1)13-26-14-22-8-10-30(16-22)11-9-23-15-28-25-7-6-21(12-24(23)25)17-31-19-27-18-29-31/h1-7,12,15,18-19,22,26,28H,8-11,13-14,16-17H2/t22-/m0/s1
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| InChIKey |
ZSQABFNIRUWZON-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