General Information of the Compound
| Compound ID |
CP0078129
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| Compound Name |
1-[(4-amino-3,5-diiodophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
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| Structure |
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| Formula |
C16H16I2N2O2
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| Molecular Weight |
522.124
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| Canonical SMILES |
Nc1c(I)cc(CC2NCCc3cc(O)c(O)cc23)cc1I
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| InChI |
InChI=1S/C16H16I2N2O2/c17-11-3-8(4-12(18)16(11)19)5-13-10-7-15(22)14(21)6-9(10)1-2-20-13/h3-4,6-7,13,20-22H,1-2,5,19H2
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| InChIKey |
PGFBITCPVMBIBU-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