General Information of the Compound
| Compound ID |
CP0650352
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| Compound Name |
THIAMYLAL SODIUM
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| Structure |
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| Formula |
C12H17N2NaO2S
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| Molecular Weight |
276.337
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| Canonical SMILES |
C=CCC1(C(C)CCC)C(=O)[N-]C(=S)NC1=O.[Na+]
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| InChI |
InChI=1S/C12H18N2O2S.Na/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);/q;+1/p-1
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| InChIKey |
LYZGJWXNOGIVQA-UHFFFAOYSA-M
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| CAS |
337-47-3
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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