General Information of the Compound
| Compound ID |
CP0516642
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| Compound Name |
(2S)-1-benzyl-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 |
C32H37BN2O5
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| Molecular Weight |
540.469
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| Canonical SMILES |
CC1(C)OB(OC1(C)C)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C32H37BN2O5/c1-31(2)32(3,4)40-33(39-31)26-14-10-25(11-15-26)22-38-27-16-12-23(13-17-27)20-34-30(37)28-18-19-29(36)35(28)21-24-8-6-5-7-9-24/h5-17,28H,18-22H2,1-4H3,(H,34,37)/t28-/m0/s1
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| InChIKey |
FOSFJBPUGKWVQW-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