General Information of the Compound
| Compound ID |
CP0494861
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| Compound Name |
US9315498, 74
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| Structure |
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| Formula |
C18H16FN3O2
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| Molecular Weight |
325.343
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| Canonical SMILES |
CC1(C)CCN(C(=O)O1)c1ccc(cn1)C#Cc1cncc(F)c1
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| InChI |
InChI=1S/C18H16FN3O2/c1-18(2)7-8-22(17(23)24-18)16-6-5-13(11-21-16)3-4-14-9-15(19)12-20-10-14/h5-6,9-12H,7-8H2,1-2H3
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| InChIKey |
NMICMKPQYWAFKS-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