General Information of the Compound
| Compound ID |
CP0904414
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| Compound Name |
(3R,6R,7aS)-6-amino-6-(cyclohexylmethyl)-5-oxohexahydropyrrolo[2,1-b]thiazole-3-carbonitrile hydrochloride
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| Structure |
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| Formula |
C14H22ClN3OS
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| Molecular Weight |
315.87
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| Canonical SMILES |
Cl.N#C[C@@H]1CS[C@H]2C[C@](N)(CC3CCCCC3)C(=O)N12
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| InChI |
InChI=1S/C14H21N3OS.ClH/c15-8-11-9-19-12-7-14(16,13(18)17(11)12)6-10-4-2-1-3-5-10;/h10-12H,1-7,9,16H2;1H/t11-,12+,14-;/m1./s1
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| InChIKey |
AQIFAGVUAFCSAR-LQDWTQKMSA-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