General Information of the Compound
| Compound ID |
CP0527296
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| Compound Name |
US9216182, 1.87
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| Structure |
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| Formula |
C18H28N4O4S
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| Molecular Weight |
396.513
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| Canonical SMILES |
COC(=O)c1csc(n1)N1CCC(CC1)OC(=O)N1CCN(CC1)C(C)C
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| InChI |
InChI=1S/C18H28N4O4S/c1-13(2)20-8-10-22(11-9-20)18(24)26-14-4-6-21(7-5-14)17-19-15(12-27-17)16(23)25-3/h12-14H,4-11H2,1-3H3
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| InChIKey |
XLGUJQFMICUVQC-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