General Information of the Compound
| Compound ID |
CP0177126
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| Compound Name |
(+)-(7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
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| Structure |
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| Formula |
C10H12N2O3
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| Molecular Weight |
208.217
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| Canonical SMILES |
OCC1Cc2ccc(cc2CN1)[N+]([O-])=O
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| InChI |
InChI=1S/C10H12N2O3/c13-6-9-3-7-1-2-10(12(14)15)4-8(7)5-11-9/h1-2,4,9,11,13H,3,5-6H2
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| InChIKey |
RNUCRXHRBPLYTA-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