General Information of the Compound
| Compound ID |
CP0524174
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| Compound Name |
CHEMBL2031148
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| Formula |
C28H38FN3O4
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| Molecular Weight |
499.627
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](O)C2)Oc2ncc(CC(C)(C)C)cc12
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| InChI |
InChI=1S/C28H38FN3O4/c1-17(33)32-23(10-18-5-7-20(29)8-6-18)25(35)16-30-24-14-28(12-21(34)13-28)36-26-22(24)9-19(15-31-26)11-27(2,3)4/h5-9,15,21,23-25,30,34-35H,10-14,16H2,1-4H3,(H,32,33)/t21-,23-,24-,25+,28+/m0/s1
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| InChIKey |
WRMXZVCISFLWNB-LRJSQAIZSA-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