General Information of the Compound
| Compound ID |
CP0409322
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| Compound Name |
1-{4-[(4-Bromo-benzyl)-pyridin-2-yl-amino]-butyl}-3-(3-imidazol-1-yl-propyl)-thiourea
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| Structure |
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| Formula |
C23H29BrN6S
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| Molecular Weight |
501.498
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| Canonical SMILES |
Brc1ccc(CN(CCCCNC(=S)NCCCn2ccnc2)c2ccccn2)cc1
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| InChI |
InChI=1S/C23H29BrN6S/c24-21-9-7-20(8-10-21)18-30(22-6-1-2-11-26-22)16-4-3-12-27-23(31)28-13-5-15-29-17-14-25-19-29/h1-2,6-11,14,17,19H,3-5,12-13,15-16,18H2,(H2,27,28,31)
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| InChIKey |
WRTYQXXLXRUQCR-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