General Information of the Compound
| Compound ID |
CP0088307
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| Compound Name |
CHEMBL4452650
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| Formula |
C30H30F7NO5S
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| Molecular Weight |
649.625
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| Canonical SMILES |
OC(=O)[C@H]1CC[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)Cc1ccccc1
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| InChI |
InChI=1S/C30H30F7NO5S/c31-28(29(32,33)34,30(35,36)37)22-11-12-23-21(16-22)10-13-24-27(23,44(42,43)17-18-4-2-1-3-5-18)14-15-38(24)25(39)19-6-8-20(9-7-19)26(40)41/h1-5,11-12,16,19-20,24H,6-10,13-15,17H2,(H,40,41)/t19-,20-,24-,27-/m1/s1
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| InChIKey |
RTRLDILTCFOVAH-URNDPJOWSA-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