General Information of the Compound
| Compound ID |
CP0430988
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| Compound Name |
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-morpholino-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C22H19Cl2N5O2
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| Molecular Weight |
456.333
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| Canonical SMILES |
Clc1ccc(cc1)-c1c(CC#N)c(nn1-c1ccccc1Cl)C(=O)NN1CCOCC1
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| InChI |
InChI=1S/C22H19Cl2N5O2/c23-16-7-5-15(6-8-16)21-17(9-10-25)20(22(30)27-28-11-13-31-14-12-28)26-29(21)19-4-2-1-3-18(19)24/h1-8H,9,11-14H2,(H,27,30)
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| InChIKey |
SPUWBWJYUKCTKB-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