General Information of the Compound
| Compound ID |
CP0556138
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| Compound Name |
(3R)-5-fluoro-3-hydroxy-3-[[4-([1,3]oxathiolo[5,4-c]pyridin-6-ylmethylamino)-2-oxabicyclo[2.2.2]octan-1-yl]methyl]-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
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| Structure |
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| Formula |
C25H25FN4O4S
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| Molecular Weight |
496.564
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| Canonical SMILES |
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3SCOc3cn2)Cn2c3c1c(F)cnc3ccc2=O
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| InChI |
InChI=1S/C25H25FN4O4S/c26-16-9-28-17-1-2-20(31)30-12-25(32,21(16)22(17)30)11-24-5-3-23(4-6-24,13-34-24)29-8-15-7-19-18(10-27-15)33-14-35-19/h1-2,7,9-10,29,32H,3-6,8,11-14H2/t23?,24?,25-/m0/s1
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| InChIKey |
TWCHXZZYURJWPC-STEQJIOHSA-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