General Information of the Compound
| Compound ID |
CP0543778
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| Compound Name |
2N-(4-bromobenzyl)-2N-(3-{1-[3-(1H-4-imidazolyl)propylimino]methylthioamino}propyl)-2-pyridinamine
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| Structure |
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| Formula |
C22H29BrN6S
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| Molecular Weight |
489.487
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| Canonical SMILES |
CS(NCCCN(Cc1ccc(Br)cc1)c1ccccn1)=NCCCc1cnc[nH]1
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| InChI |
InChI=1S/C22H29BrN6S/c1-30(27-13-4-6-21-16-24-18-26-21)28-14-5-15-29(22-7-2-3-12-25-22)17-19-8-10-20(23)11-9-19/h2-3,7-12,16,18H,4-6,13-15,17H2,1H3,(H,24,26)(H,27,28)
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| InChIKey |
LIDKVULPNJVWON-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