General Information of the Compound
| Compound ID |
CP0157954
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| Compound Name |
US10597366, Compound 294
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| Structure |
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| Formula |
C17H12F3NO4S
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| Molecular Weight |
383.347
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| Canonical SMILES |
CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2[C@H](F)[C@@H](F)[C@@H](O)c12
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| InChI |
InChI=1S/C17H12F3NO4S/c1-26(23,24)12-3-2-11(13-14(12)17(22)16(20)15(13)19)25-10-5-8(7-21)4-9(18)6-10/h2-6,15-17,22H,1H3/t15-,16+,17-/m0/s1
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| InChIKey |
LOMMPXLFBTZENJ-BBWFWOEESA-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