General Information of the Compound
| Compound ID |
CP0133094
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| Compound Name |
(1R,3S,4S,5R)-3-[[4-amino-3-fluoro-5-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxyphenyl]methyl]-5-[[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]methylamino]-1-oxothian-4-ol
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| Structure |
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| Formula |
C25H35F4N3O5S
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| Molecular Weight |
565.63
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| Canonical SMILES |
COC[C@@H](Oc1cc(C[C@@H]2C[S@@](=O)C[C@H](NCc3cc(CC(C)(C)C)on3)[C@H]2O)cc(F)c1N)C(F)(F)F
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| InChI |
InChI=1S/C25H35F4N3O5S/c1-24(2,3)9-17-8-16(32-37-17)10-31-19-13-38(34)12-15(23(19)33)5-14-6-18(26)22(30)20(7-14)36-21(11-35-4)25(27,28)29/h6-8,15,19,21,23,31,33H,5,9-13,30H2,1-4H3/t15-,19+,21-,23+,38-/m1/s1
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| InChIKey |
BNFJJDOJXXRZDV-NAOLWSJMSA-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