General Information of the Compound
| Compound ID |
CP0523996
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| Compound Name |
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(2-(hydroxyamino)-2-iminoethyl)-N-morpholino-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C22H22Cl2N6O3
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| Molecular Weight |
489.363
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| Canonical SMILES |
ONC(=N)Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1Cl)C(=O)NN1CCOCC1
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| InChI |
InChI=1S/C22H22Cl2N6O3/c23-15-7-5-14(6-8-15)21-16(13-19(25)28-32)20(22(31)27-29-9-11-33-12-10-29)26-30(21)18-4-2-1-3-17(18)24/h1-8,32H,9-13H2,(H2,25,28)(H,27,31)
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| InChIKey |
LNAVXMDEEDVXQA-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