General Information of the Compound
| Compound ID |
CP0254287
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| Compound Name |
CHEMBL4849604
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| Formula |
C14H11F7N2O4
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| Molecular Weight |
404.238
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| Canonical SMILES |
COC(=O)C(=N/Nc1ccc(OC)cc1)\C(=O)C(F)(F)C(F)(F)C(F)(F)F
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| InChI |
InChI=1S/C14H11F7N2O4/c1-26-8-5-3-7(4-6-8)22-23-9(11(25)27-2)10(24)12(15,16)13(17,18)14(19,20)21/h3-6,22H,1-2H3/b23-9-
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| InChIKey |
IHRHACRFXNFJBN-AQHIEDMUSA-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