General Information of the Compound
| Compound ID |
CP0514989
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| Compound Name |
US9216182, 1.93
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| Structure |
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| Formula |
C16H27N5O2S
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| Molecular Weight |
353.492
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1nnc(C)s1
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| InChI |
InChI=1S/C16H27N5O2S/c1-12(2)19-8-10-21(11-9-19)16(22)23-14-4-6-20(7-5-14)15-18-17-13(3)24-15/h12,14H,4-11H2,1-3H3
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| InChIKey |
JIYJKTHYRSJAQK-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