General Information of the Compound
| Compound ID |
CP0377323
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| Compound Name |
CHEMBL219252
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| Formula |
C29H35BrF3N3O5
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| Molecular Weight |
642.513
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| Canonical SMILES |
CC(C)(C)[C@H]1CC[C@@H](CC1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1Br
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| InChI |
InChI=1S/C29H35BrF3N3O5/c1-28(2,3)20-8-10-21(11-9-20)36(17-18-4-6-19(7-5-18)26(39)34-15-14-25(37)38)27(40)35-24-13-12-22(16-23(24)30)41-29(31,32)33/h4-7,12-13,16,20-21H,8-11,14-15,17H2,1-3H3,(H,34,39)(H,35,40)(H,37,38)/t20-,21-
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| InChIKey |
JPGXZLNMGVIWFD-MEMLXQNLSA-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