General Information of the Compound
| Compound ID |
CP0389256
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| Compound Name |
CHEMBL4088438
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| Formula |
C22H34N6O3S
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| Molecular Weight |
462.62
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| Canonical SMILES |
CS(=O)(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12
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| InChI |
InChI=1S/C22H34N6O3S/c1-32(29,30)28-10-8-27(9-11-28)18-4-2-17(3-5-18)26-22-20-19(16-6-12-31-13-7-16)14-23-21(20)24-15-25-22/h14-18H,2-13H2,1H3,(H2,23,24,25,26)/t17-,18-
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| InChIKey |
ATPGXQYJSRBLBD-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