General Information of the Compound
| Compound ID |
CP0904983
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| Compound Name |
3-((5-(2-(1H-Imidazol-4-yl)ethyl)-4-(3,4-dichlorobenzyl)-4H-1,2,4-triazol-3-yl)methyl-1H-indole
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| Structure |
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| Formula |
C23H20Cl2N6
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| Molecular Weight |
451.361
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| Canonical SMILES |
Clc1ccc(Cn2c(CCc3c[nH]cn3)nnc2Cc2c[nH]c3ccccc23)cc1Cl
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| InChI |
InChI=1S/C23H20Cl2N6/c24-19-7-5-15(9-20(19)25)13-31-22(8-6-17-12-26-14-28-17)29-30-23(31)10-16-11-27-21-4-2-1-3-18(16)21/h1-5,7,9,11-12,14,27H,6,8,10,13H2,(H,26,28)
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| InChIKey |
CRCUUEFBOHENTJ-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