General Information of the Compound
| Compound ID |
CP0684304
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| Compound Name |
(3R,6S,7aS)-6-amino-6-(4-fluorophenyl)-5-oxohexahydropyrrolo[2,1-b]thiazole-3-carbonitrile hydrochloride
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| Structure |
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| Formula |
C13H13ClFN3OS
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| Molecular Weight |
313.785
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| Canonical SMILES |
Cl.N#C[C@@H]1CS[C@H]2C[C@](N)(c3ccc(F)cc3)C(=O)N12
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| InChI |
InChI=1S/C13H12FN3OS.ClH/c14-9-3-1-8(2-4-9)13(16)5-11-17(12(13)18)10(6-15)7-19-11;/h1-4,10-11H,5,7,16H2;1H/t10-,11+,13+;/m1./s1
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| InChIKey |
HWUAFXFNTPFJBV-CHZGQIEOSA-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