General Information of the Compound
| Compound ID |
CP0497826
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| Compound Name |
1-(4-Amino-butyl)-3-{3-[(5-bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)-amino]-propyl}-thiourea
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| Structure |
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| Formula |
C20H26BrCl2N5S
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| Molecular Weight |
519.34
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| Canonical SMILES |
NCCCCNC(=S)NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1
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| InChI |
InChI=1S/C20H26BrCl2N5S/c21-16-5-7-19(27-13-16)28(14-15-4-6-17(22)18(23)12-15)11-3-10-26-20(29)25-9-2-1-8-24/h4-7,12-13H,1-3,8-11,14,24H2,(H2,25,26,29)
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| InChIKey |
PJBLWGQYXJSXNG-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