General Information of the Compound
| Compound ID |
CP0295784
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| Compound Name |
14-[[3-methoxypropyl(methyl)sulfamoyl]amino]-5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
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| Structure |
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| Formula |
C23H25N5O4S
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| Molecular Weight |
467.551
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| Canonical SMILES |
COCCCN(C)S(=O)(=O)Nc1ccc2ccc3ncc(cc3c(=O)c2c1)-c1cnn(C)c1
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| InChI |
InChI=1S/C23H25N5O4S/c1-27-15-18(14-25-27)17-11-21-22(24-13-17)8-6-16-5-7-19(12-20(16)23(21)29)26-33(30,31)28(2)9-4-10-32-3/h5-8,11-15,26H,4,9-10H2,1-3H3
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| InChIKey |
NRMBCLVVHWHCEG-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