General Information of the Compound
| Compound ID |
CP0520883
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| Compound Name |
N-(3,5-difluorophenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide
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| Structure |
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| Formula |
C18H18F3N3S
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| Molecular Weight |
365.424
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| Canonical SMILES |
Fc1ccc(CN2CCCN(C2)C(=S)Nc2cc(F)cc(F)c2)cc1
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| InChI |
InChI=1S/C18H18F3N3S/c19-14-4-2-13(3-5-14)11-23-6-1-7-24(12-23)18(25)22-17-9-15(20)8-16(21)10-17/h2-5,8-10H,1,6-7,11-12H2,(H,22,25)
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| InChIKey |
YIJMQARSZOHNOV-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: PT03632, Sigma intracellular receptor 2
Protein ID: PT01509, Sigma non-opioid intracellular receptor 1