General Information of the Compound
| Compound ID |
CP0384087
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| Compound Name |
1-{2-[(5-Bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)-amino]-ethyl}-3-[3-(1H-imidazol-4-yl)-propyl]-urea
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| Structure |
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| Formula |
C21H23BrCl2N6O
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| Molecular Weight |
526.266
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| Canonical SMILES |
Clc1ccc(CN(CCNC(=O)NCCCc2cnc[nH]2)c2ccc(Br)cn2)cc1Cl
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| InChI |
InChI=1S/C21H23BrCl2N6O/c22-16-4-6-20(28-11-16)30(13-15-3-5-18(23)19(24)10-15)9-8-27-21(31)26-7-1-2-17-12-25-14-29-17/h3-6,10-12,14H,1-2,7-9,13H2,(H,25,29)(H2,26,27,31)
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| InChIKey |
MROIMDQJEATEJZ-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