General Information of the Compound
| Compound ID |
CP0453405
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| Compound Name |
1-{3-[(4-Bromo-benzyl)-pyridin-2-yl-amino]-propyl}-3-[3-(1H-imidazol-4-yl)-propyl]-thiourea
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| Structure |
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| Formula |
C22H27BrN6S
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| Molecular Weight |
487.471
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| Canonical SMILES |
Brc1ccc(CN(CCCNC(=S)NCCCc2cnc[nH]2)c2ccccn2)cc1
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| InChI |
InChI=1S/C22H27BrN6S/c23-19-9-7-18(8-10-19)16-29(21-6-1-2-11-25-21)14-4-13-27-22(30)26-12-3-5-20-15-24-17-28-20/h1-2,6-11,15,17H,3-5,12-14,16H2,(H,24,28)(H2,26,27,30)
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| InChIKey |
RNZMLIKROZUKPH-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