General Information of the Compound
| Compound ID |
CP0503392
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| Compound Name |
7-((E)-3-Iodo-allylamino)-5,6,7,8-tetrahydro-naphthalen-2-ol
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| Structure |
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| Formula |
C13H16INO
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| Molecular Weight |
329.181
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| Canonical SMILES |
Oc1ccc2CCC(Cc2c1)NC\C=C\I
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| InChI |
InChI=1S/C13H16INO/c14-6-1-7-15-12-4-2-10-3-5-13(16)9-11(10)8-12/h1,3,5-6,9,12,15-16H,2,4,7-8H2/b6-1+
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| InChIKey |
TVIKHTHPGBUJNY-LZCJLJQNSA-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