General Information of the Compound
| Compound ID |
CP0328875
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| Compound Name |
US850504, 91
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| Structure |
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| Formula |
C26H34FN3O5S
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| Molecular Weight |
519.639
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| Canonical SMILES |
COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4(F)CCOCC4)c(OC)nn23)c(OC)c1
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| InChI |
InChI=1S/C26H34FN3O5S/c1-31-14-18-11-20(32-2)22(21(12-18)33-3)19-15-36-25-23(24(34-4)28-30(19)25)29(13-17-5-6-17)16-26(27)7-9-35-10-8-26/h11-12,15,17H,5-10,13-14,16H2,1-4H3
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| InChIKey |
PCEGARMVPFXTSY-UHFFFAOYSA-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