General Information of the Compound
| Compound ID |
CP0414485
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| Compound Name |
US9365558, 9
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| Structure |
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| Formula |
C27H28F6N2O5S
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| Molecular Weight |
606.585
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(C(=O)NS(C)(=O)=O)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H28F6N2O5S/c1-17-6-8-18(9-7-17)21-16-25(27(31,32)33,34-23(36)22(21)24(37)35-41(2,38)39)19-10-12-20(13-11-19)40-15-5-3-4-14-26(28,29)30/h6-13H,3-5,14-16H2,1-2H3,(H,34,36)(H,35,37)/t25-/m0/s1
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| InChIKey |
CHAZAAYPHXJOJM-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