General Information of the Compound
| Compound ID |
CP0472009
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| Compound Name |
1-{4-[(5-Bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)-amino]-butyl}-3-[3-(1H-imidazol-4-yl)-propyl]-thiourea
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| Structure |
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| Formula |
C23H27BrCl2N6S
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| Molecular Weight |
570.388
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| Canonical SMILES |
Clc1ccc(CN(CCCCNC(=S)NCCCc2cnc[nH]2)c2ccc(Br)cn2)cc1Cl
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| InChI |
InChI=1S/C23H27BrCl2N6S/c24-18-6-8-22(30-13-18)32(15-17-5-7-20(25)21(26)12-17)11-2-1-9-28-23(33)29-10-3-4-19-14-27-16-31-19/h5-8,12-14,16H,1-4,9-11,15H2,(H,27,31)(H2,28,29,33)
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| InChIKey |
NVCYUUAACPZSFA-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