General Information of the Compound
| Compound ID |
CP0436780
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| Compound Name |
1-{3-[(5-Bromo-pyridin-2-yl)-naphthalen-1-ylmethyl-amino]-propyl}-3-[3-(1H-imidazol-4-yl)-propyl]-thiourea
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| Structure |
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| Formula |
C26H29BrN6S
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| Molecular Weight |
537.531
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| Canonical SMILES |
Brc1ccc(nc1)N(CCCNC(=S)NCCCc1cnc[nH]1)Cc1cccc2ccccc12
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| InChI |
InChI=1S/C26H29BrN6S/c27-22-11-12-25(31-16-22)33(18-21-8-3-7-20-6-1-2-10-24(20)21)15-5-14-30-26(34)29-13-4-9-23-17-28-19-32-23/h1-3,6-8,10-12,16-17,19H,4-5,9,13-15,18H2,(H,28,32)(H2,29,30,34)
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| InChIKey |
DSZPBHJWOKFYBU-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