General Information of the Compound
| Compound ID |
CP0438816
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| Compound Name |
4-{4-[3-(5-[1,2,4]Triazol-4-yl-1H-indol-3-yl)-propyl]-piperazin-1-ylmethyl}-benzonitrile
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| Structure |
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| Formula |
C25H27N7
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| Molecular Weight |
425.54
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| Canonical SMILES |
N#Cc1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
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| InChI |
InChI=1S/C25H27N7/c26-15-20-3-5-21(6-4-20)17-31-12-10-30(11-13-31)9-1-2-22-16-27-25-8-7-23(14-24(22)25)32-18-28-29-19-32/h3-8,14,16,18-19,27H,1-2,9-13,17H2
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| InChIKey |
ZBWYYTCTRHNNTG-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