General Information of the Compound
| Compound ID |
CP0415095
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| Compound Name |
N'-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]ethanimidamide
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| Structure |
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| Formula |
C21H21N5
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| Molecular Weight |
343.434
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| Canonical SMILES |
CC(N)=N[C@H](Cc1c[nH]c2ccccc12)c1nc(c[nH]1)-c1ccccc1
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| InChI |
InChI=1S/C21H21N5/c1-14(22)25-19(11-16-12-23-18-10-6-5-9-17(16)18)21-24-13-20(26-21)15-7-3-2-4-8-15/h2-10,12-13,19,23H,11H2,1H3,(H2,22,25)(H,24,26)/t19-/m1/s1
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| InChIKey |
HQPGNMVVNXSKCR-LJQANCHMSA-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: PT00930, Somatostatin receptor type 1
Protein ID: PT01505, Somatostatin receptor type 2
Protein ID: PT01693, Somatostatin receptor type 3
Protein ID: PT01398, Somatostatin receptor type 4
Protein ID: PT01196, Somatostatin receptor type 5