General Information of the Compound
| Compound ID |
CP0229370
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| Compound Name |
US9243020, 4
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| Structure |
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| Formula |
C9H16N2O3S
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| Molecular Weight |
232.305
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| Canonical SMILES |
CN(C)C1=N[C@@H]2C[C@H](O)[C@@H](CO)O[C@@H]2S1
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| InChI |
InChI=1S/C9H16N2O3S/c1-11(2)9-10-5-3-6(13)7(4-12)14-8(5)15-9/h5-8,12-13H,3-4H2,1-2H3/t5-,6+,7-,8-/m1/s1
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| InChIKey |
AMTGNXFFSFQYJA-ULAWRXDQSA-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