General Information of the Compound
| Compound ID |
CP0174384
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| Compound Name |
N-[[2-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]pyridin-4-yl]methyl]acetamide
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| Structure |
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| Formula |
C21H20ClN5O4S2
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| Molecular Weight |
506.009
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| Canonical SMILES |
COc1cccc2n(Cc3cc(CNC(C)=O)ccn3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
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| InChI |
InChI=1S/C21H20ClN5O4S2/c1-13(28)24-11-14-8-9-23-15(10-14)12-27-16-4-3-5-17(31-2)20(16)21(25-27)26-33(29,30)19-7-6-18(22)32-19/h3-10H,11-12H2,1-2H3,(H,24,28)(H,25,26)
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| InChIKey |
YKRHDRCYNRNRRR-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