General Information of the Compound
| Compound ID |
CP0460454
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| Compound Name |
1-{5-[(5-Bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)-amino]-pentyl}-3-[3-(1H-imidazol-4-yl)-propyl]-thiourea
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| Structure |
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| Formula |
C24H29BrCl2N6S
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| Molecular Weight |
584.415
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| Canonical SMILES |
Clc1ccc(CN(CCCCCNC(=S)NCCCc2cnc[nH]2)c2ccc(Br)cn2)cc1Cl
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| InChI |
InChI=1S/C24H29BrCl2N6S/c25-19-7-9-23(31-14-19)33(16-18-6-8-21(26)22(27)13-18)12-3-1-2-10-29-24(34)30-11-4-5-20-15-28-17-32-20/h6-9,13-15,17H,1-5,10-12,16H2,(H,28,32)(H2,29,30,34)
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| InChIKey |
YZOMBPDHOVUNRI-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