General Information of the Compound
| Compound ID |
CP0533854
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| Compound Name |
US10435369, Example 125
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| Structure |
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| Formula |
C30H30F8N2O4S
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| Molecular Weight |
666.631
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| Canonical SMILES |
CC(=O)N1CCC(CC1)C(=O)N[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C30H30F8N2O4S/c1-17(41)40-14-11-18(12-15-40)26(42)39-25-10-13-27(45(43,44)22-6-4-21(31)5-7-22)23-9-3-20(16-19(23)2-8-24(25)27)28(32,29(33,34)35)30(36,37)38/h3-7,9,16,18,24-25H,2,8,10-15H2,1H3,(H,39,42)/t24-,25+,27+/m0/s1
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| InChIKey |
JROACKQUEHWSEU-ZWEKWIFMSA-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