General Information of the Compound
| Compound ID |
CP0209521
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| Compound Name |
7-Nitro-1,2,3,4-tetrahydro-isoquinoline
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| Synonyms |
1,2,3,4-Tetrahydro-7-nitroisoquinoline
42923-79-5
7-Nitro-1,2,3,4-tetrahydro-isoquinoline
7-Nitro-1,2,3,4-tetrahydroisoquinoline
7-Nitro-tetrahydroisoquinoline
7-nitrotetrahydroisoquinoline
AB21318
AC-9598
AC1O502M
ACT10738
AKOS005259136
ANW-50594
BCP09681
BDBM50072991
CHEMBL281289
CS-D0150
CTK4I6796
DTXSID30423728
ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-7-NITRO-
KS-00000DK2
MCULE-4384372233
MolPort-003-886-230
N90100
QC-5046
RP03102
SCHEMBL10066165
SCHEMBL324460
YPRWYZSUBZXORL-UHFFFAOYSA-N
ZINC13686846
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| Structure |
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| Formula |
C9H10N2O2
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| Molecular Weight |
178.191
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| Canonical SMILES |
[O-][N+](=O)c1ccc2CCNCc2c1
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| InChI |
InChI=1S/C9H10N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5,10H,3-4,6H2
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| InChIKey |
YPRWYZSUBZXORL-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
Clinical Information about the Compound