General Information of the Compound
| Compound ID |
CP0452321
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| Compound Name |
[4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]boronic acid
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| Structure |
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| Formula |
C15H13BClNO3
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| Molecular Weight |
301.538
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| Canonical SMILES |
OB(O)c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C15H13BClNO3/c17-13-6-1-11(2-7-13)3-10-15(19)18-14-8-4-12(5-9-14)16(20)21/h1-10,20-21H,(H,18,19)/b10-3+
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| InChIKey |
BQLFUHYZTSOUID-XCVCLJGOSA-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