General Information of the Compound
| Compound ID |
CP0492514
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| Compound Name |
1-{3-[(5-Bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)-amino]-propyl}-3-(3-pyrrolidin-1-yl-propyl)-thiourea
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| Structure |
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| Formula |
C23H30BrCl2N5S
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| Molecular Weight |
559.405
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| Canonical SMILES |
Clc1ccc(CN(CCCNC(=S)NCCCN2CCCC2)c2ccc(Br)cn2)cc1Cl
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| InChI |
InChI=1S/C23H30BrCl2N5S/c24-19-6-8-22(29-16-19)31(17-18-5-7-20(25)21(26)15-18)14-4-10-28-23(32)27-9-3-13-30-11-1-2-12-30/h5-8,15-16H,1-4,9-14,17H2,(H2,27,28,32)
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| InChIKey |
XSKRCUHYGNXDAS-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