General Information of the Compound
| Compound ID |
CP0452674
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| Compound Name |
CHEMBL4463622
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| Formula |
C23H29FN2O5S
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| Molecular Weight |
464.559
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| Canonical SMILES |
Cc1c(O[C@H]2CC[C@@]3(COC(C)(C)C3)CC2)ncnc1Oc1ccc(cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C23H29FN2O5S/c1-15-20(30-16-7-9-23(10-8-16)12-22(2,3)29-13-23)25-14-26-21(15)31-19-6-5-17(11-18(19)24)32(4,27)28/h5-6,11,14,16H,7-10,12-13H2,1-4H3/t16-,23+
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| InChIKey |
SJLNUGUKQWMKMJ-PAVFIEEWSA-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