General Information of the Compound
| Compound ID |
CP0550417
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| Compound Name |
N-[6-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
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| Structure |
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| Formula |
C21H15ClFN5O
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| Molecular Weight |
407.836
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| Canonical SMILES |
FC1CC1C(=O)Nc1cc2cc(ccc2cn1)-c1nncn1-c1ccccc1Cl
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| InChI |
InChI=1S/C21H15ClFN5O/c22-16-3-1-2-4-18(16)28-11-25-27-20(28)12-5-6-13-10-24-19(8-14(13)7-12)26-21(29)15-9-17(15)23/h1-8,10-11,15,17H,9H2,(H,24,26,29)
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| InChIKey |
JVLUOMAUWZUAIG-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