General Information of the Compound
| Compound ID |
CP0478756
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| Compound Name |
US9212171, 29
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| Structure |
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| Formula |
C21H19FN2O
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| Molecular Weight |
334.394
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| Canonical SMILES |
CN1[C@H]2CCC[C@H]2[C@@H](C1=O)c1ccc(cn1)C#Cc1ccc(F)cc1
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| InChI |
InChI=1S/C21H19FN2O/c1-24-19-4-2-3-17(19)20(21(24)25)18-12-9-15(13-23-18)6-5-14-7-10-16(22)11-8-14/h7-13,17,19-20H,2-4H2,1H3/t17-,19+,20-/m1/s1
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| InChIKey |
DQVKKIABVQNADT-YZGWKJHDSA-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