General Information of the Compound
| Compound ID |
CP0576450
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| Compound Name |
US8987445, 177
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| Structure |
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| Formula |
C29H25F3N2O5S
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| Molecular Weight |
570.589
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1ccc(cc1)C(O)(C1CC1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C29H25F3N2O5S/c1-18-25-5-3-2-4-21(25)16-33-26(18)34(40(38,39)24-14-8-20(9-15-24)27(35)36)17-19-6-10-22(11-7-19)28(37,23-12-13-23)29(30,31)32/h2-11,14-16,23,37H,12-13,17H2,1H3,(H,35,36)
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| InChIKey |
YDDRJJGKQWBPKQ-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