General Information of the Compound
| Compound ID |
CP0490079
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| Compound Name |
US9315498, 136
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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 |
CC1(C)CCN(C(=O)C1)c1ncc(cn1)C#Cc1cc(F)ccc1F
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| InChI |
InChI=1S/C19H17F2N3O/c1-19(2)7-8-24(17(25)10-19)18-22-11-13(12-23-18)3-4-14-9-15(20)5-6-16(14)21/h5-6,9,11-12H,7-8,10H2,1-2H3
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| InChIKey |
QDPURENXXNBHQC-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