General Information of the Compound
| Compound ID |
CP0493228
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| Compound Name |
US9216182, 1.89
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| Structure |
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| Formula |
C17H27N5O3S
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| Molecular Weight |
381.502
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1nc(cs1)C(N)=O
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| InChI |
InChI=1S/C17H27N5O3S/c1-12(2)20-7-9-22(10-8-20)17(24)25-13-3-5-21(6-4-13)16-19-14(11-26-16)15(18)23/h11-13H,3-10H2,1-2H3,(H2,18,23)
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| InChIKey |
NNXQBSXIHZXAHS-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