General Information of the Compound
| Compound ID |
CP0834421
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| Compound Name |
3-(2-(4-(3-(1H-Imidazol-4-yl)propyl)-5-(3,4-dichlorobenzyl)-4H-1,2,4-triazol-3-yl)ethyl)-1H-indole
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| Structure |
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| Formula |
C25H24Cl2N6
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| Molecular Weight |
479.415
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| Canonical SMILES |
Clc1ccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)cc1Cl
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| InChI |
InChI=1S/C25H24Cl2N6/c26-21-9-7-17(12-22(21)27)13-25-32-31-24(33(25)11-3-4-19-15-28-16-30-19)10-8-18-14-29-23-6-2-1-5-20(18)23/h1-2,5-7,9,12,14-16,29H,3-4,8,10-11,13H2,(H,28,30)
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| InChIKey |
MYPLDJKSSOVSCI-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