General Information of the Compound
| Compound ID |
CP0461891
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| Compound Name |
2-(1,3-benzodioxol-5-ylmethylamino)-N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]acetamide
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| Structure |
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| Formula |
C19H20N6O3
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| Molecular Weight |
380.408
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| Canonical SMILES |
Cc1cc(CNC(=O)CNCc2ccc3OCOc3c2)nc(n1)-n1ccnc1
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| InChI |
InChI=1S/C19H20N6O3/c1-13-6-15(24-19(23-13)25-5-4-20-11-25)9-22-18(26)10-21-8-14-2-3-16-17(7-14)28-12-27-16/h2-7,11,21H,8-10,12H2,1H3,(H,22,26)
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| InChIKey |
ZXXCVNNUMJNQIW-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