General Information of the Compound
| Compound ID |
CP0207857
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| Compound Name |
(3S,4S,5R)-3-[[4-amino-3-fluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]methyl]-5-[[1-(2,2-dimethylpropyl)pyrazol-4-yl]methylamino]-1,1-dioxothian-4-ol
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| Structure |
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| Formula |
C24H31F7N4O4S
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| Molecular Weight |
604.589
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| Canonical SMILES |
CC(C)(C)Cn1cc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)[C@@H]2O)cn1
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| InChI |
InChI=1S/C24H31F7N4O4S/c1-22(2,3)12-35-9-14(8-34-35)7-33-17-11-40(37,38)10-15(20(17)36)4-13-5-16(25)19(32)18(6-13)39-21(23(26,27)28)24(29,30)31/h5-6,8-9,15,17,20-21,33,36H,4,7,10-12,32H2,1-3H3/t15-,17+,20+/m1/s1
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| InChIKey |
AZZAPLDRNFVCMT-SYNHAJSKSA-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