General Information of the Compound
| Compound ID |
CP0490798
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| Compound Name |
US9212171, 10
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| Structure |
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| Formula |
C19H18FN3O
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| Molecular Weight |
323.371
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| Canonical SMILES |
CN1C(=O)C(CC1(C)C)c1ccc(nn1)C#Cc1ccc(F)cc1
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| InChI |
InChI=1S/C19H18FN3O/c1-19(2)12-16(18(24)23(19)3)17-11-10-15(21-22-17)9-6-13-4-7-14(20)8-5-13/h4-5,7-8,10-11,16H,12H2,1-3H3
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| InChIKey |
ABSPBXVLXKIHEO-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