General Information of the Compound
| Compound ID |
CP0545117
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| Compound Name |
US9278960, 3-30
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| Structure |
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| Formula |
C23H21FN4O
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| Molecular Weight |
388.446
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| Canonical SMILES |
CC(C)c1nccn1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
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| InChI |
InChI=1S/C23H21FN4O/c1-14(2)23-26-9-10-28(23)13-15-3-8-18-19(16-4-6-17(24)7-5-16)12-21(22(25)29)27-20(18)11-15/h3-12,14H,13H2,1-2H3,(H2,25,29)
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| InChIKey |
LULCFBGABRHYJW-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