General Information of the Compound
| Compound ID |
CP0541460
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| Compound Name |
CHEMBL4063127
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| Formula |
C15H20F3N5
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| Molecular Weight |
327.354
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| Canonical SMILES |
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(c12)C(F)(F)F
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| InChI |
InChI=1S/C15H20F3N5/c1-23(2)10-5-3-9(4-6-10)22-14-12-11(15(16,17)18)7-19-13(12)20-8-21-14/h7-10H,3-6H2,1-2H3,(H2,19,20,21,22)/t9-,10-
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| InChIKey |
LKJMLWXHYMALAY-MGCOHNPYSA-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