General Information of the Compound
| Compound ID |
CP0562174
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| Compound Name |
3-[[[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]amino]methyl]benzamide
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| Structure |
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| Formula |
C18H19ClFN3O
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| Molecular Weight |
347.821
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| Canonical SMILES |
NC(=O)c1cccc(CNC2CCN(C2)c2ccc(F)c(Cl)c2)c1
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| InChI |
InChI=1S/C18H19ClFN3O/c19-16-9-15(4-5-17(16)20)23-7-6-14(11-23)22-10-12-2-1-3-13(8-12)18(21)24/h1-5,8-9,14,22H,6-7,10-11H2,(H2,21,24)
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| InChIKey |
WFLAIMWDHDADBE-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