General Information of the Compound
| Compound ID |
CP0519423
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| Compound Name |
US9365558, 16
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| Structure |
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| Formula |
C27H26F6N2O5S
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| Molecular Weight |
604.569
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H26F6N2O5S/c1-16-3-5-17(6-4-16)21-15-25(27(31,32)33,18-7-9-19(10-8-18)40-14-2-13-26(28,29)30)34-23(36)22(21)24(37)35-41(38,39)20-11-12-20/h3-10,20H,2,11-15H2,1H3,(H,34,36)(H,35,37)/t25-/m0/s1
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| InChIKey |
XQSHDLQHDSDGNM-VWLOTQADSA-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