General Information of the Compound
| Compound ID |
CP0178200
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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-[[(1R)-1-(3-tert-butylphenyl)ethyl]amino]-1-oxothian-4-ol
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| Structure |
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| Formula |
C28H38F4N2O4S
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| Molecular Weight |
574.681
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| Canonical SMILES |
COC[C@@H](Oc1cc(C[C@@H]2C[S@@](=O)C[C@H](N[C@H](C)c3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N)C(F)(F)F
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| InChI |
InChI=1S/C28H38F4N2O4S/c1-16(18-7-6-8-20(12-18)27(2,3)4)34-22-15-39(36)14-19(26(22)35)9-17-10-21(29)25(33)23(11-17)38-24(13-37-5)28(30,31)32/h6-8,10-12,16,19,22,24,26,34-35H,9,13-15,33H2,1-5H3/t16-,19-,22+,24-,26+,39-/m1/s1
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| InChIKey |
JZTFFTMPOGLVCG-CBZQJITBSA-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