General Information of the Compound
| Compound ID |
CP0841766
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| Compound Name |
(3R,6S,7aS)-6-amino-6-isopropyl-5-oxohexahydropyrrolo[2,1-b]thiazole-3-carbonitrile hydrochloride
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| Structure |
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| Formula |
C10H16ClN3OS
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| Molecular Weight |
261.778
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| Canonical SMILES |
CC(C)[C@@]1(N)C[C@@H]2SC[C@@H](C#N)N2C1=O.Cl
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| InChI |
InChI=1S/C10H15N3OS.ClH/c1-6(2)10(12)3-8-13(9(10)14)7(4-11)5-15-8;/h6-8H,3,5,12H2,1-2H3;1H/t7-,8+,10+;/m1./s1
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| InChIKey |
PYIMHVJIXMWICZ-QVUDESDKSA-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