General Information of the Compound
| Compound ID |
CP0537483
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| Compound Name |
US9315498, 24
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| Structure |
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| Formula |
C18H14FN3O2
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| Molecular Weight |
323.327
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| Canonical SMILES |
Fc1cncc(c1)C#Cc1ccc(nc1)N1[C@@H]2CCC[C@@H]2OC1=O
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| InChI |
InChI=1S/C18H14FN3O2/c19-14-8-13(9-20-11-14)5-4-12-6-7-17(21-10-12)22-15-2-1-3-16(15)24-18(22)23/h6-11,15-16H,1-3H2/t15-,16+/m1/s1
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| InChIKey |
FEWRLNUBCPYGJB-CVEARBPZSA-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