General Information of the Compound
| Compound ID |
CP0447708
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| Compound Name |
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(2-(hydroxyamino)-2-iminoethyl)-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H24Cl2N6O2
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| Molecular Weight |
487.391
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| Canonical SMILES |
ONC(=N)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)NN1CCCCC1
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| InChI |
InChI=1S/C23H24Cl2N6O2/c24-16-10-8-15(9-11-16)22-17(14-20(26)29-33)21(23(32)28-30-12-4-1-5-13-30)27-31(22)19-7-3-2-6-18(19)25/h2-3,6-11,33H,1,4-5,12-14H2,(H2,26,29)(H,28,32)
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| InChIKey |
QJUDXSNINJURLI-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