General Information of the Compound
| Compound ID |
CP0191660
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| Compound Name |
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-4-methylmorpholine-3-carboxamide
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| Structure |
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| Formula |
C26H28ClN5O5S2
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| Molecular Weight |
590.127
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| Canonical SMILES |
COc1cccc2n(Cc3cccc(CNC(=O)C4COCCN4C)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
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| InChI |
InChI=1S/C26H28ClN5O5S2/c1-31-11-12-37-16-20(31)26(33)28-14-17-5-3-6-18(13-17)15-32-19-7-4-8-21(36-2)24(19)25(29-32)30-39(34,35)23-10-9-22(27)38-23/h3-10,13,20H,11-12,14-16H2,1-2H3,(H,28,33)(H,29,30)
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| InChIKey |
XFROBWVHVSYXPV-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