General Information of the Compound
| Compound ID |
CP0473097
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| Compound Name |
(2S)-1-[(4-fluorophenyl)methyl]-5-oxo-N-[[4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C32H36BFN2O5
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| Molecular Weight |
558.459
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| Canonical SMILES |
CC1(C)OB(OC1(C)C)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccc(F)cc3)cc2)cc1
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| InChI |
InChI=1S/C32H36BFN2O5/c1-31(2)32(3,4)41-33(40-31)25-11-5-24(6-12-25)21-39-27-15-9-22(10-16-27)19-35-30(38)28-17-18-29(37)36(28)20-23-7-13-26(34)14-8-23/h5-16,28H,17-21H2,1-4H3,(H,35,38)/t28-/m0/s1
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| InChIKey |
CJVPZXLXXBTHDS-NDEPHWFRSA-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