General Information of the Compound
| Compound ID |
CP0374963
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| Compound Name |
[(3R)-1-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methanol
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| Structure |
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| Formula |
C17H21N5O
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| Molecular Weight |
311.389
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| Canonical SMILES |
OC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1
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| InChI |
InChI=1S/C17H21N5O/c23-10-13-3-5-21(9-13)6-4-14-8-18-17-2-1-15(7-16(14)17)22-11-19-20-12-22/h1-2,7-8,11-13,18,23H,3-6,9-10H2/t13-/m1/s1
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| InChIKey |
CYDGEGRYRDDDMG-CYBMUJFWSA-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