General Information of the Compound
Compound ID |
CP0180100
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Compound Name |
3-Methyl-7-nitro-1,2,3,4-tetrahydro-isoquinoline
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Synonyms |
3-Methyl-7-nitro-1,2,3,4-tetrahydro-isoquinoline
3-methyl-7-nitro-1,2,3,4-tetrahydroisoquinoline
BDBM50077543
CHEMBL59719
Isoquinoline, 1,2,3,4-tetrahydro-3-methyl-7-nitro-
OTVSEAHLIUCIKT-UHFFFAOYSA-N
SCHEMBL7512740
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Structure |
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Formula |
C10H12N2O2
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Molecular Weight |
192.218
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Canonical SMILES |
CC1Cc2ccc(cc2CN1)[N+]([O-])=O
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InChI |
InChI=1S/C10H12N2O2/c1-7-4-8-2-3-10(12(13)14)5-9(8)6-11-7/h2-3,5,7,11H,4,6H2,1H3
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InChIKey |
OTVSEAHLIUCIKT-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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
Clinical Information about the Compound