General Information of the Compound
| Compound ID |
CP0465103
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| Compound Name |
CHEMBL3954370
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| Formula |
C21H20F3N3O2
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| Molecular Weight |
403.404
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| Canonical SMILES |
O[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2ccccc12
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| InChI |
InChI=1S/C21H20F3N3O2/c22-21(23,24)14-5-3-4-13(12-14)19(29)26-20-25-17-6-1-2-7-18(17)27(20)15-8-10-16(28)11-9-15/h1-7,12,15-16,28H,8-11H2,(H,25,26,29)/t15-,16-
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| InChIKey |
IDJUAWMLSORTJP-WKILWMFISA-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