General Information of the Compound
| Compound ID |
CP0418953
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| Compound Name |
3-[2-((R)-3-Benzyloxymethyl-pyrrolidin-1-yl)-ethyl]-5-[1,2,4]triazol-4-yl-1H-indole
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| Structure |
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| Formula |
C24H27N5O
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| Molecular Weight |
401.514
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| Canonical SMILES |
C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](COCc2ccccc2)C1
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| InChI |
InChI=1S/C24H27N5O/c1-2-4-19(5-3-1)15-30-16-20-8-10-28(14-20)11-9-21-13-25-24-7-6-22(12-23(21)24)29-17-26-27-18-29/h1-7,12-13,17-18,20,25H,8-11,14-16H2/t20-/m1/s1
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| InChIKey |
HQTKJKBMUWZMCC-HXUWFJFHSA-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