General Information of the Compound
| Compound ID |
CP0383077
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| Compound Name |
3-{3-[4-(2-Pyridin-3-yl-ethyl)-piperazin-1-yl]-propyl}-5-[1,2,4]triazol-4-yl-1H-indole
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| Structure |
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| Formula |
C24H29N7
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| Molecular Weight |
415.545
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| Canonical SMILES |
C(CN1CCN(CCc2cccnc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
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| InChI |
InChI=1S/C24H29N7/c1-3-20(16-25-8-1)7-10-30-13-11-29(12-14-30)9-2-4-21-17-26-24-6-5-22(15-23(21)24)31-18-27-28-19-31/h1,3,5-6,8,15-19,26H,2,4,7,9-14H2
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| InChIKey |
FCBBVPHMCOPHEA-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