General Information of the Compound
| Compound ID |
CP0230628
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| Compound Name |
arylpyrazole, 30
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| Structure |
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| Formula |
C21H23ClFN5
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| Molecular Weight |
399.901
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| Canonical SMILES |
Cc1c(CNC2CCCC2)nn(c1-c1cnc(C)c(F)c1)-c1ncccc1Cl
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| InChI |
InChI=1S/C21H23ClFN5/c1-13-19(12-26-16-6-3-4-7-16)27-28(21-17(22)8-5-9-24-21)20(13)15-10-18(23)14(2)25-11-15/h5,8-11,16,26H,3-4,6-7,12H2,1-2H3
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| InChIKey |
VMGWUSHQPDSHSZ-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