General Information of the Compound
| Compound ID |
CP0553739
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| Compound Name |
CHEMBL219138
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| Formula |
C33H42F3N3O5
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| Molecular Weight |
617.709
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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(OCC2CC2)cc1C(F)(F)F
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| InChI |
InChI=1S/C33H42F3N3O5/c1-32(2,3)24-10-12-25(13-11-24)39(19-21-6-8-23(9-7-21)30(42)37-17-16-29(40)41)31(43)38-28-15-14-26(44-20-22-4-5-22)18-27(28)33(34,35)36/h6-9,14-15,18,22,24-25H,4-5,10-13,16-17,19-20H2,1-3H3,(H,37,42)(H,38,43)(H,40,41)/t24-,25-
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| InChIKey |
BLBUVVYNXNBNJS-SOAUALDESA-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