General Information of the Compound
| Compound ID |
CP0896819
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| Compound Name |
N-(3-(1-methylpiperidin-4-yl)-1H-indol-5-yl)furan-2-carboximidamide dihydrochloride
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| Structure |
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| Formula |
C19H24Cl2N4O
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| Molecular Weight |
395.334
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| Canonical SMILES |
CN1CCC(c2c[nH]c3ccc(NC(=N)c4ccco4)cc23)CC1.Cl.Cl
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| InChI |
InChI=1S/C19H22N4O.2ClH/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18;;/h2-5,10-13,21H,6-9H2,1H3,(H2,20,22);2*1H
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| InChIKey |
NCSQKCGFJGFXEY-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