General Information of the Compound
| Compound ID |
CP0439003
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| Compound Name |
3-Thiophen-2-yl-3,4-dihydro-isoquinolin-1-ylamine
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| Structure |
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| Formula |
C13H12N2S
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| Molecular Weight |
228.32
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| Canonical SMILES |
NC1=NC(Cc2ccccc12)c1cccs1
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| InChI |
InChI=1S/C13H12N2S/c14-13-10-5-2-1-4-9(10)8-11(15-13)12-6-3-7-16-12/h1-7,11H,8H2,(H2,14,15)
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| InChIKey |
CDRBKBGYXOOEBB-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
Protein ID: PT01856, Nitric oxide synthase 3
Protein ID: PT01472, Nitric oxide synthase, inducible