General Information of the Compound
| Compound ID |
CP0122307
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| Compound Name |
Erucin
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| Structure |
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| Formula |
C6H11NS2
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| Molecular Weight |
161.295
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| Canonical SMILES |
CSCCCCN=C=S
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| InChI |
InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3
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| InChIKey |
IHQDGXUYTSZGOG-UHFFFAOYSA-N
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| CAS |
4430-36-8
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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