General Information of the Compound
| Compound ID |
CP0035955
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| Compound Name |
(R,S) 7-[(3-Iodo-allyl)-propyl-amino]-5,6,7,8-tetrahydro-naphthalen-2-ol
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| Structure |
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| Formula |
C16H22INO
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| Molecular Weight |
371.262
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| Canonical SMILES |
CCCN(C\C=C\I)C1CCc2ccc(O)cc2C1
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| InChI |
InChI=1S/C16H22INO/c1-2-9-18(10-3-8-17)15-6-4-13-5-7-16(19)12-14(13)11-15/h3,5,7-8,12,15,19H,2,4,6,9-11H2,1H3/b8-3+
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| InChIKey |
RTMIJLQPWFKAFE-FPYGCLRLSA-N
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| CAS |
148258-46-2
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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