General Information of the Compound
| Compound ID |
CP0395005
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| Compound Name |
1-(2,4-Difluoro-phenyl)-3-[(R)-2-(1H-indol-3-yl)-1-(4-phenyl-1H-imidazol-2-yl)-ethyl]-urea
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| Structure |
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| Formula |
C26H21F2N5O
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| Molecular Weight |
457.484
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| Canonical SMILES |
Fc1ccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nc(c[nH]2)-c2ccccc2)c(F)c1
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| InChI |
InChI=1S/C26H21F2N5O/c27-18-10-11-22(20(28)13-18)32-26(34)33-23(12-17-14-29-21-9-5-4-8-19(17)21)25-30-15-24(31-25)16-6-2-1-3-7-16/h1-11,13-15,23,29H,12H2,(H,30,31)(H2,32,33,34)/t23-/m1/s1
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| InChIKey |
JZBDUKNRWKGIPH-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