General Information of the Compound
| Compound ID |
CP0497973
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| Compound Name |
(1R,3R)-N-(diaminomethylidene)-3-(4-fluoro-3-propan-2-ylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
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| Structure |
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| Formula |
C16H22FN3O
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| Molecular Weight |
291.37
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| Canonical SMILES |
CC(C)c1cc(ccc1F)[C@@H]1[C@@H](C(=O)NC(N)=N)C1(C)C
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| InChI |
InChI=1S/C16H22FN3O/c1-8(2)10-7-9(5-6-11(10)17)12-13(16(12,3)4)14(21)20-15(18)19/h5-8,12-13H,1-4H3,(H4,18,19,20,21)/t12-,13+/m1/s1
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| InChIKey |
BVBBTALDVJAPQI-OLZOCXBDSA-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