General Information of the Compound
| Compound ID |
CP0523934
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| Compound Name |
US9365558, 81
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| Structure |
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| Formula |
C30H36F6N4O5S
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| Molecular Weight |
678.696
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| Canonical SMILES |
CC(C)(C)Cn1ccc(n1)C1=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H36F6N4O5S/c1-27(2,3)18-40-15-13-23(38-40)22-17-28(30(34,35)36,37-25(41)24(22)26(42)39-46(43,44)21-11-12-21)19-7-9-20(10-8-19)45-16-6-4-5-14-29(31,32)33/h7-10,13,15,21H,4-6,11-12,14,16-18H2,1-3H3,(H,37,41)(H,39,42)/t28-/m0/s1
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| InChIKey |
ZRCGWAPGGCECRX-NDEPHWFRSA-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