General Information of the Compound
| Compound ID |
CP0508594
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| Compound Name |
4-(1H-Imidazol-4-yl)-piperidine-1-carbothioic acid {2-[(5-bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)-amino]-ethyl}-amide
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| Structure |
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| Formula |
C23H25BrCl2N6S
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| Molecular Weight |
568.372
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| Canonical SMILES |
Clc1ccc(CN(CCNC(=S)N2CCC(CC2)c2cnc[nH]2)c2ccc(Br)cn2)cc1Cl
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| InChI |
InChI=1S/C23H25BrCl2N6S/c24-18-2-4-22(29-12-18)32(14-16-1-3-19(25)20(26)11-16)10-7-28-23(33)31-8-5-17(6-9-31)21-13-27-15-30-21/h1-4,11-13,15,17H,5-10,14H2,(H,27,30)(H,28,33)
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| InChIKey |
MAYDDJZDEDNDPY-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