General Information of the Compound
| Compound ID |
CP0070794
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| Compound Name |
CHEMBL3741095
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| Formula |
C23H21F2N3O4S
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| Molecular Weight |
473.501
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| Canonical SMILES |
OC(=O)[C@@H]1CC[C@@H](CC1)Oc1ccc(cc1)C(=O)Nc1nnc(Cc2cc(F)cc(F)c2)s1
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| InChI |
InChI=1S/C23H21F2N3O4S/c24-16-9-13(10-17(25)12-16)11-20-27-28-23(33-20)26-21(29)14-1-5-18(6-2-14)32-19-7-3-15(4-8-19)22(30)31/h1-2,5-6,9-10,12,15,19H,3-4,7-8,11H2,(H,30,31)(H,26,28,29)/t15-,19+
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| InChIKey |
SBONFSMOJRSALT-GLRZTSSQSA-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