General Information of the Compound
| Compound ID |
CP0541557
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| Compound Name |
(1S,2S)-2-(3-bromo-4-fluorophenyl)-N-(diaminomethylidene)cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C11H11BrFN3O
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| Molecular Weight |
300.131
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| Canonical SMILES |
NC(=N)NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(Br)c1
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| InChI |
InChI=1S/C11H11BrFN3O/c12-8-3-5(1-2-9(8)13)6-4-7(6)10(17)16-11(14)15/h1-3,6-7H,4H2,(H4,14,15,16,17)/t6-,7+/m1/s1
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| InChIKey |
FEUPQGULNAUDAL-RQJHMYQMSA-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