General Information of the Compound
| Compound ID |
CP0572444
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| Compound Name |
US9315498, 111
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| Structure |
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| Formula |
C19H17F2N3O
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| Molecular Weight |
341.361
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| Canonical SMILES |
CN1C(=O)N(CC1(C)C)c1ncc(cc1F)C#Cc1cccc(F)c1
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| InChI |
InChI=1S/C19H17F2N3O/c1-19(2)12-24(18(25)23(19)3)17-16(21)10-14(11-22-17)8-7-13-5-4-6-15(20)9-13/h4-6,9-11H,12H2,1-3H3
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| InChIKey |
OSGKMKOPXQDIJJ-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