General Information of the Compound
| Compound ID |
CP0404417
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| Compound Name |
N'-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-4-(trifluoromethyl)benzenecarboximidamide
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| Structure |
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| Formula |
C27H22F3N5
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| Molecular Weight |
473.502
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| Canonical SMILES |
NC(=N[C@H](Cc1c[nH]c2ccccc12)c1nc(c[nH]1)-c1ccccc1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H22F3N5/c28-27(29,30)20-12-10-18(11-13-20)25(31)34-23(14-19-15-32-22-9-5-4-8-21(19)22)26-33-16-24(35-26)17-6-2-1-3-7-17/h1-13,15-16,23,32H,14H2,(H2,31,34)(H,33,35)/t23-/m1/s1
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| InChIKey |
JMEVASSKPVTRFP-HSZRJFAPSA-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