General Information of the Compound
| Compound ID |
CP0455987
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| Compound Name |
US9199981, F107
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| Structure |
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| Formula |
C21H18FN5O2
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| Molecular Weight |
391.406
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| Canonical SMILES |
Cc1ccn2c(cnc2c1)C(=O)Nc1cc(ccc1C)-c1noc(n1)[C@@H]1C[C@H]1F
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| InChI |
InChI=1S/C21H18FN5O2/c1-11-5-6-27-17(10-23-18(27)7-11)20(28)24-16-8-13(4-3-12(16)2)19-25-21(29-26-19)14-9-15(14)22/h3-8,10,14-15H,9H2,1-2H3,(H,24,28)/t14-,15-/m1/s1
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| InChIKey |
KIRYEJRGNGQAGY-HUUCEWRRSA-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