General Information of the Compound
| Compound ID |
CP0268166
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| Compound Name |
(1R,2R)-2-[(4aS,7aR)-2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-N-ethylcyclopropane-1-carboxamide
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| Structure |
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| Formula |
C12H19N3O2S
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| Molecular Weight |
269.37
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| Canonical SMILES |
CCNC(=O)[C@@H]1C[C@H]1[C@]12COC[C@H]1CSC(N)=N2
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| InChI |
InChI=1S/C12H19N3O2S/c1-2-14-10(16)8-3-9(8)12-6-17-4-7(12)5-18-11(13)15-12/h7-9H,2-6H2,1H3,(H2,13,15)(H,14,16)/t7-,8+,9+,12-/m0/s1
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| InChIKey |
VAPJUXNDIXGLMR-HAYRHPOISA-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