General Information of the Compound
| Compound ID |
CP0688010
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| Compound Name |
N-(1-(2-(dimethylamino)ethyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-yl)thiophene-2-carboximidamide dihydrochloride
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| Structure |
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| Formula |
C19H28Cl2N4S
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| Molecular Weight |
415.434
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| Canonical SMILES |
CN(C)CCN1CCCCc2cc(NC(=N)c3cccs3)ccc21.Cl.Cl
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| InChI |
InChI=1S/C19H26N4S.2ClH/c1-22(2)11-12-23-10-4-3-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18;;/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21);2*1H
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| InChIKey |
ZKJFRHZPOHGRIM-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: PT01406, Nitric oxide synthase 1
Protein ID: PT01856, Nitric oxide synthase 3
Protein ID: PT01472, Nitric oxide synthase, inducible