General Information of the Compound
| Compound ID |
CP0434302
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| Compound Name |
(NZ)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-yl-1,4-diazepan-1-yl)butylidene]hydroxylamine
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| Structure |
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| Formula |
C20H25FN4O
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| Molecular Weight |
356.445
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| Canonical SMILES |
O\N=C(\CCCN1CCCN(CC1)c1ccccn1)c1ccc(F)cc1
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| InChI |
InChI=1S/C20H25FN4O/c21-18-9-7-17(8-10-18)19(23-26)5-3-12-24-13-4-14-25(16-15-24)20-6-1-2-11-22-20/h1-2,6-11,26H,3-5,12-16H2/b23-19-
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| InChIKey |
DXUQNBORIUMGPM-NMWGTECJSA-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