General Information of the Compound
| Compound ID |
CP0281454
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| Compound Name |
arylpyrazole, 1
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| Structure |
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| Formula |
C20H20Cl3N3
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| Molecular Weight |
408.76
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| Canonical SMILES |
CC(C)NCc1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C20H20Cl3N3/c1-12(2)24-11-18-13(3)20(14-4-6-15(21)7-5-14)26(25-18)19-9-8-16(22)10-17(19)23/h4-10,12,24H,11H2,1-3H3
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| InChIKey |
XZEWWPFRVAGHEH-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