General Information of the Compound
| Compound ID |
CP0943982
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| Compound Name |
3-(5-((1H-Indol-3-yl)methyl)-4-(3,4-dichlorobenzyl)-4H-1,2,4-triazol-3-yl)propan-1-amine
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| Structure |
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| Formula |
C21H21Cl2N5
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| Molecular Weight |
414.34
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| Canonical SMILES |
NCCCc1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C21H21Cl2N5/c22-17-8-7-14(10-18(17)23)13-28-20(6-3-9-24)26-27-21(28)11-15-12-25-19-5-2-1-4-16(15)19/h1-2,4-5,7-8,10,12,25H,3,6,9,11,13,24H2
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| InChIKey |
HIBXMVVDJHBBHN-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