General Information of the Compound
| Compound ID |
CP0075593
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| Compound Name |
CHEMBL4527625
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| Formula |
C28H25F8NO6S
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| Molecular Weight |
655.56
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| Canonical SMILES |
OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@]2([C@H]1COc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H25F8NO6S/c29-18-6-8-19(9-7-18)44(41,42)25-11-12-37(23(38)15-1-3-16(4-2-15)24(39)40)22(25)14-43-21-13-17(5-10-20(21)25)26(30,27(31,32)33)28(34,35)36/h5-10,13,15-16,22H,1-4,11-12,14H2,(H,39,40)/t15-,16-,22-,25-/m1/s1
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| InChIKey |
USEIONJENDBBQE-KBLCWGLDSA-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