General Information of the Compound
| Compound ID |
CP0678238
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| Compound Name |
7-(2-Ethyl-butyl)-azepan-(2Z)-ylideneamine hydrochloride
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| Structure |
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| Formula |
C12H25ClN2
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| Molecular Weight |
232.799
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| Canonical SMILES |
CCC(CC)CC1CCCCC(N)=N1.Cl
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| InChI |
InChI=1S/C12H24N2.ClH/c1-3-10(4-2)9-11-7-5-6-8-12(13)14-11;/h10-11H,3-9H2,1-2H3,(H2,13,14);1H
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| InChIKey |
JNYFPDUQFHJYOP-UHFFFAOYSA-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