General Information of the Compound
| Compound ID |
CP0968562
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| Compound Name |
3-(2-(4-Benzyl-5-(piperidin-4-yl)-4H-1,2,4-triazol-3-yl)ethyl)-1H-indole
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| Structure |
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| Formula |
C24H27N5
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| Molecular Weight |
385.515
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| Canonical SMILES |
c1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2C2CCNCC2)cc1
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| InChI |
InChI=1S/C24H27N5/c1-2-6-18(7-3-1)17-29-23(27-28-24(29)19-12-14-25-15-13-19)11-10-20-16-26-22-9-5-4-8-21(20)22/h1-9,16,19,25-26H,10-15,17H2
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| InChIKey |
LQKSCDSIQFHFLN-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: PT01505, Somatostatin receptor type 2
Protein ID: PT01398, Somatostatin receptor type 4