General Information of the Compound
| Compound ID |
CP0946172
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| Compound Name |
(4-(4-fluoro-2-nitro-5-(piperidin-1-yl)phenyl)piperazin-1-yl)(phenyl)methanone
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| Structure |
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| Formula |
C22H25FN4O3
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| Molecular Weight |
412.465
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| Canonical SMILES |
O=C(c1ccccc1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1
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| InChI |
InChI=1S/C22H25FN4O3/c23-18-15-21(27(29)30)20(16-19(18)24-9-5-2-6-10-24)25-11-13-26(14-12-25)22(28)17-7-3-1-4-8-17/h1,3-4,7-8,15-16H,2,5-6,9-14H2
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| InChIKey |
TUKUCHCWWBHQIN-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