General Information of the Compound
| Compound ID |
CP0675784
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| Compound Name |
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-(hydroxymethyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H20ClN5O5S
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| Molecular Weight |
513.963
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| Canonical SMILES |
O=C(Nc1ccc(N2CCOCC2=O)cc1)c1cc(CO)n(Cc2cc(-c3ccc(Cl)s3)on2)n1
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| InChI |
InChI=1S/C23H20ClN5O5S/c24-21-6-5-20(35-21)19-9-15(27-34-19)11-29-17(12-30)10-18(26-29)23(32)25-14-1-3-16(4-2-14)28-7-8-33-13-22(28)31/h1-6,9-10,30H,7-8,11-13H2,(H,25,32)
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| InChIKey |
FQRGFMDCLSIWKO-UHFFFAOYSA-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