General Information of the Compound
| Compound ID |
CP0560173
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| Compound Name |
US9365558, 51
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| Structure |
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| Formula |
C28H30F7N3O4S
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| Molecular Weight |
637.618
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| Canonical SMILES |
CC(C)n1ccc(c1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(CCCCC(F)(F)F)cc1F)C(F)(F)F
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| InChI |
InChI=1S/C28H30F7N3O4S/c1-16(2)38-12-10-18(15-38)20-14-26(28(33,34)35,36-24(39)23(20)25(40)37-43(41,42)19-7-8-19)21-9-6-17(13-22(21)29)5-3-4-11-27(30,31)32/h6,9-10,12-13,15-16,19H,3-5,7-8,11,14H2,1-2H3,(H,36,39)(H,37,40)/t26-/m0/s1
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| InChIKey |
WBBWHQCKCBCOOX-SANMLTNESA-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