General Information of the Compound
| Compound ID |
CP0576487
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| Compound Name |
US9365558, 79
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| Structure |
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| Formula |
C29H32F6N4O5S
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| Molecular Weight |
662.653
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| Canonical SMILES |
FC(F)(F)CCCCCOc1ccc(cc1)[C@@]1(CC(c2ccn(CC3CC3)n2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F
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| InChI |
InChI=1S/C29H32F6N4O5S/c30-28(31,32)13-2-1-3-15-44-20-8-6-19(7-9-20)27(29(33,34)35)16-22(23-12-14-39(37-23)17-18-4-5-18)24(25(40)36-27)26(41)38-45(42,43)21-10-11-21/h6-9,12,14,18,21H,1-5,10-11,13,15-17H2,(H,36,40)(H,38,41)/t27-/m0/s1
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| InChIKey |
STPGMXVCTXISQM-MHZLTWQESA-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