General Information of the Compound
| Compound ID |
CP0294550
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| Compound Name |
CHEMBL595573
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| Formula |
C22H19FN4O3
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| Molecular Weight |
406.417
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| Canonical SMILES |
Fc1ccccc1-n1ccc(NC(=O)[C@H]2CC[C@@]3(CC2)OC(=O)c2ccncc32)n1
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| InChI |
InChI=1S/C22H19FN4O3/c23-17-3-1-2-4-18(17)27-12-8-19(26-27)25-20(28)14-5-9-22(10-6-14)16-13-24-11-7-15(16)21(29)30-22/h1-4,7-8,11-14H,5-6,9-10H2,(H,25,26,28)/t14-,22-
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| InChIKey |
RMYZIRFUCOMQRH-CAJLXGCNSA-N
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| CAS |
328232-95-7
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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