General Information of the Compound
| Compound ID |
CP0003888
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| Compound Name |
1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoquinoline-3-carboxamide
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| Synonyms |
1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide
3-Isoquinolinecarboxamide, 1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)-
85532-75-8
AC1L1B9T
BRN 4264456
Biomol-NT_000287
CHEBI:73290
DSSTox_RID_79625
Interferon alfa (IFN-alpha)
Isoquinoline carboxamide derivative 1
N-(butan-2-yl)-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide
N-butan-2-yl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide
N-sec-butyl-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide
PK 11195
PK-11195
PK11195
PMID27607364-Compound-1
RP 52028
SMR000058427
SR-01000076240
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| Structure |
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| Formula |
C21H21ClN2O
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| Molecular Weight |
352.865
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| Canonical SMILES |
CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
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| InChI |
InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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| InChIKey |
RAVIZVQZGXBOQO-UHFFFAOYSA-N
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| CAS |
85340-56-3
85532-75-8
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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
Protein ID: PT06109, Geminin
Protein ID: PT01817, Translocator protein
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000025 | HEK-293T | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 67400 nM
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Clinical Information about the Compound
Drug 1 ( Isoquinoline carboxamide derivative 1 )
| Drug Name | Isoquinoline carboxamide derivative 1 | ||
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| Company | COCENSYS, INC | ||
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