General Information of the Compound
| Compound ID |
CP0550905
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| Compound Name |
(1S,2S)-2-[5-cyano-2-[(2,3-difluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C16H12F2N4O2S
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| Molecular Weight |
362.361
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| Canonical SMILES |
NC(=O)[C@H]1C[C@@H]1c1nc(SCc2cccc(F)c2F)nc(O)c1C#N
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| InChI |
InChI=1S/C16H12F2N4O2S/c17-11-3-1-2-7(12(11)18)6-25-16-21-13(8-4-9(8)14(20)23)10(5-19)15(24)22-16/h1-3,8-9H,4,6H2,(H2,20,23)(H,21,22,24)/t8-,9-/m0/s1
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| InChIKey |
IYYFZPWTSMTPBN-IUCAKERBSA-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