General Information of the Compound
| Compound ID |
CP0197811
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| Compound Name |
US10239843, Example 291
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| Structure |
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| Formula |
C19H23N5O4S
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| Molecular Weight |
417.491
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| Canonical SMILES |
CCn1c2ccc(cc2c(=O)n(Cc2cnn(C)c2)c1=O)S(=O)(=O)NC1(C)CC1
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| InChI |
InChI=1S/C19H23N5O4S/c1-4-23-16-6-5-14(29(27,28)21-19(2)7-8-19)9-15(16)17(25)24(18(23)26)12-13-10-20-22(3)11-13/h5-6,9-11,21H,4,7-8,12H2,1-3H3
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| InChIKey |
VDNPAHSYCDBDLA-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