General Information of the Compound
| Compound ID |
CP0059824
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| Compound Name |
1-{3-[(5-Bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)-amino]-propyl}-3-[3-(1H-imidazol-4-yl)-propyl]-thiourea
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| Structure |
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| Formula |
C22H25BrCl2N6S
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| Molecular Weight |
556.361
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| Canonical SMILES |
Clc1ccc(CN(CCCNC(=S)NCCCc2cnc[nH]2)c2ccc(Br)cn2)cc1Cl
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| InChI |
InChI=1S/C22H25BrCl2N6S/c23-17-5-7-21(29-12-17)31(14-16-4-6-19(24)20(25)11-16)10-2-9-28-22(32)27-8-1-3-18-13-26-15-30-18/h4-7,11-13,15H,1-3,8-10,14H2,(H,26,30)(H2,27,28,32)
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| InChIKey |
UREJDUPKGMFJRU-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