General Information of the Compound
| Compound ID |
CP0416781
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| Compound Name |
3-Thiazol-2-yl-3,4-dihydro-isoquinolin-1-ylamine
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| Structure |
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| Formula |
C12H11N3S
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| Molecular Weight |
229.308
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| Canonical SMILES |
NC1=NC(Cc2ccccc12)c1nccs1
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| InChI |
InChI=1S/C12H11N3S/c13-11-9-4-2-1-3-8(9)7-10(15-11)12-14-5-6-16-12/h1-6,10H,7H2,(H2,13,15)
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| InChIKey |
RDKMXFCWQURSLL-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