General Information of the Compound
| Compound ID |
CP0180588
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| Compound Name |
US10301272, Example 6/48
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| Structure |
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| Formula |
C25H28F3N3O4S2
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| Molecular Weight |
555.644
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| Canonical SMILES |
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CC2)C(=O)NCC(C)(C)O)c2ccccc12)C(F)(F)F
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| InChI |
InChI=1S/C25H28F3N3O4S2/c1-14(25(26,27)28)31-37(34,35)20-11-10-18(16-6-4-5-7-17(16)20)21-19(12-15-8-9-15)30-23(36-21)22(32)29-13-24(2,3)33/h4-7,10-11,14-15,31,33H,8-9,12-13H2,1-3H3,(H,29,32)/t14-/m0/s1
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| InChIKey |
NAHXYUDPBBTKMC-AWEZNQCLSA-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