General Information of the Compound
| Compound ID |
CP0867192
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| Compound Name |
N-(1-(2-(methylamino)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 |
C18H26Cl2N4S
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| Molecular Weight |
401.407
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| Canonical SMILES |
CNCCN1CCCCc2cc(NC(=N)c3cccs3)ccc21.Cl.Cl
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| InChI |
InChI=1S/C18H24N4S.2ClH/c1-20-9-11-22-10-3-2-5-14-13-15(7-8-16(14)22)21-18(19)17-6-4-12-23-17;;/h4,6-8,12-13,20H,2-3,5,9-11H2,1H3,(H2,19,21);2*1H
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| InChIKey |
YCCHIFURGKPFSX-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