General Information of the Compound
| Compound ID |
CP0501010
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| Compound Name |
1-{3-[(4-Bromo-benzyl)-pyridin-2-yl-amino]-propyl}-3-(3-imidazol-1-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)NCCCn2ccnc2)c2ccccn2)cc1
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| InChI |
InChI=1S/C22H27BrN6S/c23-20-8-6-19(7-9-20)17-29(21-5-1-2-10-25-21)15-4-12-27-22(30)26-11-3-14-28-16-13-24-18-28/h1-2,5-10,13,16,18H,3-4,11-12,14-15,17H2,(H2,26,27,30)
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| InChIKey |
XDXITHMQDDABKG-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