General Information of the Compound
| Compound ID |
CP0483111
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| Compound Name |
US9428505, Compound 11
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| Structure |
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| Formula |
C29H30F3N5O6S
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| Molecular Weight |
633.649
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| Canonical SMILES |
Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(OC(F)(F)F)cc1)N1C(=O)NC(=O)C11CC1
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| InChI |
InChI=1S/C29H30F3N5O6S/c1-17-15-20(37-26(40)34-25(39)28(37)8-9-28)16-18(2)22(17)7-14-44(41,42)36-12-10-27(11-13-36)24(38)33-23(35-27)19-3-5-21(6-4-19)43-29(30,31)32/h3-6,15-16H,7-14H2,1-2H3,(H,33,35,38)(H,34,39,40)
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| InChIKey |
MOAUWOUSPNAMTP-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