General Information of the Compound
| Compound ID |
CP0191871
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| Compound Name |
(1S,2S,3S)-2-[4-[5-(difluoromethoxy)pyrimidin-2-yl]phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide
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| Synonyms |
PMID29671355-Compound-47c
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| Structure |
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| Formula |
C21H16F3N3O3
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| Molecular Weight |
415.371
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| Canonical SMILES |
ONC(=O)[C@]1(F)[C@@H]([C@H]1c1ccc(cc1)-c1ncc(OC(F)F)cn1)c1ccccc1
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| InChI |
InChI=1S/C21H16F3N3O3/c22-20(23)30-15-10-25-18(26-11-15)14-8-6-13(7-9-14)17-16(12-4-2-1-3-5-12)21(17,24)19(28)27-29/h1-11,16-17,20,29H,(H,27,28)/t16-,17-,21+/m1/s1
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| InChIKey |
RUTGGTYDBCHEPE-LZJOCLMNSA-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
Clinical Information about the Compound