General Information of the Compound
| Compound ID |
CP0355382
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| Compound Name |
CHEMBL4439830
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| Formula |
C18H21FN4O4
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| Molecular Weight |
376.388
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| Canonical SMILES |
CO[C@]1(CC[C@@H](CC1)NC(=O)c1[nH]c(=O)[nH]c(=O)c1N)c1ccc(F)cc1
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| InChI |
InChI=1S/C18H21FN4O4/c1-27-18(10-2-4-11(19)5-3-10)8-6-12(7-9-18)21-16(25)14-13(20)15(24)23-17(26)22-14/h2-5,12H,6-9,20H2,1H3,(H,21,25)(H2,22,23,24,26)/t12-,18-
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| InChIKey |
UHDRQMSENVGUJI-KSMLVUNXSA-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