General Information of the Compound
| Compound ID |
CP0504926
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| Compound Name |
1-(3-Amino-propyl)-3-{2-[(5-bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)-amino]-ethyl}-thiourea
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| Structure |
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| Formula |
C18H22BrCl2N5S
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| Molecular Weight |
491.286
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| Canonical SMILES |
NCCCNC(=S)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1
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| InChI |
InChI=1S/C18H22BrCl2N5S/c19-14-3-5-17(25-11-14)26(9-8-24-18(27)23-7-1-6-22)12-13-2-4-15(20)16(21)10-13/h2-5,10-11H,1,6-9,12,22H2,(H2,23,24,27)
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| InChIKey |
XTBJQNVPGHEGHF-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