General Information of the Compound
| Compound ID |
CP0576130
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| Compound Name |
US10435369, Example 155
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| Structure |
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| Formula |
C29H29F8NO4S
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| Molecular Weight |
639.605
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| Canonical SMILES |
OC1(CCCCC1)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/C29H29F8NO4S/c30-19-6-8-20(9-7-19)43(41,42)26-15-12-23(38-24(39)25(40)13-2-1-3-14-25)22(26)10-4-17-16-18(5-11-21(17)26)27(31,28(32,33)34)29(35,36)37/h5-9,11,16,22-23,40H,1-4,10,12-15H2,(H,38,39)/t22-,23+,26+/m0/s1
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| InChIKey |
CBHXZNHHAYIMEF-PPJWLVRDSA-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