General Information of the Compound
| Compound ID |
CP0900292
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| Compound Name |
CARIPORIDE MESYLATE
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| Structure |
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| Formula |
C13H21N3O6S2
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| Molecular Weight |
379.46
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| Canonical SMILES |
CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O.CS(=O)(=O)O
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| InChI |
InChI=1S/C12H17N3O3S.CH4O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18;1-5(2,3)4/h4-7H,1-3H3,(H4,13,14,15,16);1H3,(H,2,3,4)
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| InChIKey |
FNDLQABGYJQJPH-UHFFFAOYSA-N
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| CAS |
159138-81-5
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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