General Information of the Compound
| Compound ID |
CP0371742
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| Compound Name |
1-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl)piperazine
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| Structure |
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| Formula |
C15H19N5O2
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| Molecular Weight |
301.35
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| Canonical SMILES |
Cc1cc(C)n(n1)-c1cc(ccc1[N+]([O-])=O)N1CCNCC1
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| InChI |
InChI=1S/C15H19N5O2/c1-11-9-12(2)19(17-11)15-10-13(3-4-14(15)20(21)22)18-7-5-16-6-8-18/h3-4,9-10,16H,5-8H2,1-2H3
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| InChIKey |
JMJWFMJOTXNCFI-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