General Information of the Compound
| Compound ID |
CP0479876
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| Compound Name |
US9035059, 6-32
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| Structure |
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| Formula |
C32H42FN3O2S
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| Molecular Weight |
551.772
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| Canonical SMILES |
CCCCCCCc1ccc(NS(=O)(=O)c2ccc3CN(Cc4ccc(nc4)C(C)(C)C)CCc3c2)c(F)c1
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| InChI |
InChI=1S/C32H42FN3O2S/c1-5-6-7-8-9-10-24-11-15-30(29(33)19-24)35-39(37,38)28-14-13-27-23-36(18-17-26(27)20-28)22-25-12-16-31(34-21-25)32(2,3)4/h11-16,19-21,35H,5-10,17-18,22-23H2,1-4H3
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| InChIKey |
PKRRKQMWCBOFKF-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