General Information of the Compound
| Compound ID |
CP0871803
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| Compound Name |
N-(1-(1-methylazepan-4-yl)-1H-indol-6-yl)furan-2-carboximidamide dihydrochloride
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| Structure |
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| Formula |
C20H26Cl2N4O
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| Molecular Weight |
409.361
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| Canonical SMILES |
CN1CCCC(n2ccc3ccc(NC(=N)c4ccco4)cc32)CC1.Cl.Cl
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| InChI |
InChI=1S/C20H24N4O.2ClH/c1-23-10-2-4-17(9-11-23)24-12-8-15-6-7-16(14-18(15)24)22-20(21)19-5-3-13-25-19;;/h3,5-8,12-14,17H,2,4,9-11H2,1H3,(H2,21,22);2*1H
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| InChIKey |
RTVCWASMMUTEPS-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