General Information of the Compound
| Compound ID |
CP0414490
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| Compound Name |
US9365558, 76
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| Structure |
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| Formula |
C27H28F6N4O4S
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| Molecular Weight |
618.6
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| Canonical SMILES |
FC(F)(F)CCCCc1ccc(cc1)[C@@]1(CC(c2ccn(n2)C2CC2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F
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| InChI |
InChI=1S/C27H28F6N4O4S/c28-26(29,30)13-2-1-3-16-4-6-17(7-5-16)25(27(31,32)33)15-20(21-12-14-37(35-21)18-8-9-18)22(23(38)34-25)24(39)36-42(40,41)19-10-11-19/h4-7,12,14,18-19H,1-3,8-11,13,15H2,(H,34,38)(H,36,39)/t25-/m0/s1
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| InChIKey |
SNBZQVAUIVRFCI-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