General Information of the Compound
| Compound ID |
CP0281307
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| Compound Name |
(1R,3S,4S,5R)-3-[[4-amino-3-fluoro-5-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]oxyphenyl]methyl]-5-[(3-tert-butylphenyl)methylamino]-1-oxothian-4-ol
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| Structure |
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| Formula |
C26H34F4N2O4S
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| Molecular Weight |
546.627
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| Canonical SMILES |
CC(C)(C)c1cccc(CN[C@H]2C[S@](=O)C[C@@H](Cc3cc(F)c(N)c(O[C@H](CO)C(F)(F)F)c3)[C@@H]2O)c1
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| InChI |
InChI=1S/C26H34F4N2O4S/c1-25(2,3)18-6-4-5-15(8-18)11-32-20-14-37(35)13-17(24(20)34)7-16-9-19(27)23(31)21(10-16)36-22(12-33)26(28,29)30/h4-6,8-10,17,20,22,24,32-34H,7,11-14,31H2,1-3H3/t17-,20+,22-,24+,37-/m1/s1
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| InChIKey |
KVJZSBQIJYQMHT-STZPNVHWSA-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