General Information of the Compound
| Compound ID |
CP0437805
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| Compound Name |
But-2-ynyl-methyl-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-yl}-amine
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| Structure |
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| Formula |
C23H30N6
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| Molecular Weight |
390.535
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| Canonical SMILES |
CC#CCN(C)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
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| InChI |
InChI=1S/C23H30N6/c1-3-4-11-27(2)20-9-13-28(14-10-20)12-5-6-19-16-24-23-8-7-21(15-22(19)23)29-17-25-26-18-29/h7-8,15-18,20,24H,5-6,9-14H2,1-2H3
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| InChIKey |
VTUQYCVMUHHIIX-UHFFFAOYSA-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