General Information of the Compound
| Compound ID |
CP0326357
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| Compound Name |
CHEMBL4060511
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| Formula |
C22H28N6O2S
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| Molecular Weight |
440.573
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| Canonical SMILES |
O=S(=O)(C1CC1)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N
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| InChI |
InChI=1S/C22H28N6O2S/c23-14-16-1-8-21-20(13-16)22(25-15-24-21)26-17-2-4-18(5-3-17)27-9-11-28(12-10-27)31(29,30)19-6-7-19/h1,8,13,15,17-19H,2-7,9-12H2,(H,24,25,26)/t17-,18-
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| InChIKey |
AXFNSXBYIDZYGS-IYARVYRRSA-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