General Information of the Compound
| Compound ID |
CP0894438
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| Compound Name |
N-(3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-1H-indol-6-yl)thiophene-2-carboximidamide dihydrochloride
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| Structure |
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| Formula |
C20H22Cl2N4S
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| Molecular Weight |
421.397
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| Canonical SMILES |
Cl.Cl.N=C(Nc1ccc2c(C3=CN4CCC3CC4)c[nH]c2c1)c1cccs1
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| InChI |
InChI=1S/C20H20N4S.2ClH/c21-20(19-2-1-9-25-19)23-14-3-4-15-16(11-22-18(15)10-14)17-12-24-7-5-13(17)6-8-24;;/h1-4,9-13,22H,5-8H2,(H2,21,23);2*1H
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| InChIKey |
PUKZZAMNYRPICC-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