General Information of the Compound
| Compound ID |
CP0870514
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| Compound Name |
3-(2-(5-(2-(1H-Imidazol-4-yl)ethyl)-4-(3,4-dichlorobenzyl)-4H-1,2,4-triazol-3-yl)ethyl)-1H-indole
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| Structure |
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| Formula |
C24H22Cl2N6
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| Molecular Weight |
465.388
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| Canonical SMILES |
Clc1ccc(Cn2c(CCc3c[nH]cn3)nnc2CCc2c[nH]c3ccccc23)cc1Cl
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| InChI |
InChI=1S/C24H22Cl2N6/c25-20-8-5-16(11-21(20)26)14-32-23(30-31-24(32)10-7-18-13-27-15-29-18)9-6-17-12-28-22-4-2-1-3-19(17)22/h1-5,8,11-13,15,28H,6-7,9-10,14H2,(H,27,29)
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| InChIKey |
JVMUTHYIVPUBTB-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