General Information of the Compound
| Compound ID |
CP0430752
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| Compound Name |
1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-(2-nitropiperidin-1-yl)ethanone
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| Structure |
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| Formula |
C17H22N4O4
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| Molecular Weight |
346.387
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| Canonical SMILES |
CC1=NN(C(C1)c1ccccc1O)C(=O)CN1CCCCC1[N+]([O-])=O
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| InChI |
InChI=1S/C17H22N4O4/c1-12-10-14(13-6-2-3-7-15(13)22)20(18-12)17(23)11-19-9-5-4-8-16(19)21(24)25/h2-3,6-7,14,16,22H,4-5,8-11H2,1H3
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| InChIKey |
SUYDDRDKWNINSK-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