General Information of the Compound
| Compound ID |
CP0414458
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| Compound Name |
US9278960, 4-127
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| Structure |
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| Formula |
C22H25N5O3S
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| Molecular Weight |
439.541
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| Canonical SMILES |
Cn1cc(cn1)-c1cc(nc2cc(CN3CCS(=O)(=O)C(C3)C3CC3)ccc12)C(N)=O
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| InChI |
InChI=1S/C22H25N5O3S/c1-26-12-16(10-24-26)18-9-20(22(23)28)25-19-8-14(2-5-17(18)19)11-27-6-7-31(29,30)21(13-27)15-3-4-15/h2,5,8-10,12,15,21H,3-4,6-7,11,13H2,1H3,(H2,23,28)
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| InChIKey |
DJWNWHNVQNUTBT-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