General Information of the Compound
| Compound ID |
CP0780237
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| Compound Name |
(3R,6S,7aS)-6-Amino-6-((S)-sec-butyl)-5-oxo-hexahydro-pyrrolo[2,1-b]thiazole-3-carbonitrile hydrochloride
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| Structure |
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| Formula |
C11H18ClN3OS
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| Molecular Weight |
275.805
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| Canonical SMILES |
CC[C@H](C)[C@@]1(N)C[C@@H]2SC[C@@H](C#N)N2C1=O.Cl
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| InChI |
InChI=1S/C11H17N3OS.ClH/c1-3-7(2)11(13)4-9-14(10(11)15)8(5-12)6-16-9;/h7-9H,3-4,6,13H2,1-2H3;1H/t7-,8+,9-,11-;/m0./s1
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| InChIKey |
LJNAPUOGBUEEKN-BPJDKYJYSA-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