General Information of the Compound
| Compound ID |
CP0870593
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| Compound Name |
N-(1-(1-(2-Hydroxyethyl)piperidin-4-yl)indolin-5-yl)thiophene-2-carboximidamide dihydrochloride
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| Structure |
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| Formula |
C20H28Cl2N4OS
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| Molecular Weight |
443.444
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| Canonical SMILES |
Cl.Cl.N=C(Nc1ccc2c(c1)CCN2C1CCN(CCO)CC1)c1cccs1
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| InChI |
InChI=1S/C20H26N4OS.2ClH/c21-20(19-2-1-13-26-19)22-16-3-4-18-15(14-16)5-10-24(18)17-6-8-23(9-7-17)11-12-25;;/h1-4,13-14,17,25H,5-12H2,(H2,21,22);2*1H
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| InChIKey |
WCLIGSPRWVGSCK-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