General Information of the Compound
| Compound ID |
CP0429000
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| Compound Name |
3-[2-((R)-3-Benzyloxy-pyrrolidin-1-yl)-ethyl]-5-[1,2,4]triazol-4-yl-1H-indole
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| Structure |
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| Formula |
C23H25N5O
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| Molecular Weight |
387.487
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| Canonical SMILES |
C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@H](C1)OCc1ccccc1
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| InChI |
InChI=1S/C23H25N5O/c1-2-4-18(5-3-1)15-29-21-9-11-27(14-21)10-8-19-13-24-23-7-6-20(12-22(19)23)28-16-25-26-17-28/h1-7,12-13,16-17,21,24H,8-11,14-15H2/t21-/m1/s1
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| InChIKey |
ZIFAINJUDMIJOM-OAQYLSRUSA-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