General Information of the Compound
| Compound ID |
CP0941575
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| Compound Name |
(S)-(4-(((2-(4-Fluorobenzyl)-1,3-dioxo-1,2,3,5,10,10a-hexahydroimidazo[1,5-b]isoquinolin-7-yl)oxy)methyl)phenyl)boronic Acid
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| Structure |
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| Formula |
C25H22BFN2O5
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| Molecular Weight |
460.27
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| Canonical SMILES |
O=C1[C@@H]2Cc3ccc(OCc4ccc(B(O)O)cc4)cc3CN2C(=O)N1Cc1ccc(F)cc1
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| InChI |
InChI=1S/C25H22BFN2O5/c27-21-8-3-16(4-9-21)13-29-24(30)23-12-18-5-10-22(11-19(18)14-28(23)25(29)31)34-15-17-1-6-20(7-2-17)26(32)33/h1-11,23,32-33H,12-15H2/t23-/m0/s1
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| InChIKey |
PHSQCPKIXYAJIL-QHCPKHFHSA-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