General Information of the Compound
| Compound ID |
CP0441132
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| Compound Name |
1-(2,4-Dichlorophenyl)-4-cyano-5-(4-bromophenyl)-N-morpholino-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C21H16BrCl2N5O2
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| Molecular Weight |
521.202
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| Canonical SMILES |
Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCOCC2)c(C#N)c1-c1ccc(Br)cc1
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| InChI |
InChI=1S/C21H16BrCl2N5O2/c22-14-3-1-13(2-4-14)20-16(12-25)19(21(30)27-28-7-9-31-10-8-28)26-29(20)18-6-5-15(23)11-17(18)24/h1-6,11H,7-10H2,(H,27,30)
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| InChIKey |
SRIMISLKXUKICS-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