General Information of the Compound
| Compound ID |
CP0540112
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| Compound Name |
US10435369, Example 49
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| Structure |
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| Formula |
C26H21F10NO3S
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| Molecular Weight |
617.505
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@H]([C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)C(=O)NC1CC1(F)F
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| InChI |
InChI=1S/C26H21F10NO3S/c27-15-3-5-16(6-4-15)41(39,40)22-10-9-17(21(38)37-20-12-23(20,28)29)19(22)7-1-13-11-14(2-8-18(13)22)24(30,25(31,32)33)26(34,35)36/h2-6,8,11,17,19-20H,1,7,9-10,12H2,(H,37,38)/t17-,19+,20?,22-/m1/s1
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| InChIKey |
HJIBHGHHLPPPCJ-MKSOCRHZSA-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