General Information of the Compound
| Compound ID |
CP0439738
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| Compound Name |
1-(4-Amino-butyl)-3-{3-[(5-bromo-pyridin-2-yl)-naphthalen-1-ylmethyl-amino]-propyl}-thiourea
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| Structure |
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| Formula |
C24H30BrN5S
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| Molecular Weight |
500.51
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| Canonical SMILES |
NCCCCNC(=S)NCCCN(Cc1cccc2ccccc12)c1ccc(Br)cn1
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| InChI |
InChI=1S/C24H30BrN5S/c25-21-11-12-23(29-17-21)30(16-6-15-28-24(31)27-14-4-3-13-26)18-20-9-5-8-19-7-1-2-10-22(19)20/h1-2,5,7-12,17H,3-4,6,13-16,18,26H2,(H2,27,28,31)
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| InChIKey |
HJWNVFPJIBHYNM-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