General Information of the Compound
| Compound ID |
CP0075589
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| Compound Name |
US10273259, Example 68
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| Formula |
C30H29F8NO5S
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| Molecular Weight |
667.615
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| Canonical SMILES |
C[C@@]1(CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1)C(O)=O
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| InChI |
InChI=1S/C30H29F8NO5S/c1-26(25(41)42)12-10-17(11-13-26)24(40)39-15-14-27(45(43,44)21-6-4-20(31)5-7-21)22-8-3-19(16-18(22)2-9-23(27)39)28(32,29(33,34)35)30(36,37)38/h3-8,16-17,23H,2,9-15H2,1H3,(H,41,42)/t17-,23-,26-,27-/m1/s1
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| InChIKey |
RNUYUEWIROQCAN-ZKPUSUNFSA-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