General Information of the Compound
| Compound ID |
CP0082747
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| Compound Name |
US10239843, Example 174
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| Structure |
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| Formula |
C21H25N5O4S
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| Molecular Weight |
443.529
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| Canonical SMILES |
Cn1cc(Cn2c(=O)n(CC3CC3)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)cn1
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| InChI |
InChI=1S/C21H25N5O4S/c1-21(7-8-21)23-31(29,30)16-5-6-18-17(9-16)19(27)26(13-15-10-22-24(2)11-15)20(28)25(18)12-14-3-4-14/h5-6,9-11,14,23H,3-4,7-8,12-13H2,1-2H3
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| InChIKey |
KQWQMWPUWTWEIR-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