General Information of the Compound
| Compound ID |
CP0460895
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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)-phenyl]-thiourea
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| Structure |
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| Formula |
C26H25BrCl2N6S
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| Molecular Weight |
604.405
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| Canonical SMILES |
Clc1ccc(CN(CCCCNC(=S)Nc2cccc(c2)-c2c[nH]cn2)c2ccc(Br)cn2)cc1Cl
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| InChI |
InChI=1S/C26H25BrCl2N6S/c27-20-7-9-25(32-14-20)35(16-18-6-8-22(28)23(29)12-18)11-2-1-10-31-26(36)34-21-5-3-4-19(13-21)24-15-30-17-33-24/h3-9,12-15,17H,1-2,10-11,16H2,(H,30,33)(H2,31,34,36)
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| InChIKey |
UMVYKPZHWHAJNS-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