General Information of the Compound
| Compound ID |
CP0515139
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| Compound Name |
US9365558, 53
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| Structure |
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| Formula |
C26H27F7N4O4S
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| Molecular Weight |
624.579
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| Canonical SMILES |
CCn1ccc(n1)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/C26H27F7N4O4S/c1-2-37-12-10-20(35-37)17-14-24(26(31,32)33,34-22(38)21(17)23(39)36-42(40,41)16-7-8-16)18-9-6-15(13-19(18)27)5-3-4-11-25(28,29)30/h6,9-10,12-13,16H,2-5,7-8,11,14H2,1H3,(H,34,38)(H,36,39)/t24-/m0/s1
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| InChIKey |
CINTWDPONFQNAJ-DEOSSOPVSA-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