General Information of the Compound
| Compound ID |
CP0390807
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| Compound Name |
N-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)ethanamine
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| Structure |
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| Formula |
C20H23N5O3
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| Molecular Weight |
381.436
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| Canonical SMILES |
CC(NCCOCc1ccc2OCOc2c1)c1cc(C)nc(n1)-n1ccnc1
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| InChI |
InChI=1S/C20H23N5O3/c1-14-9-17(24-20(23-14)25-7-5-21-12-25)15(2)22-6-8-26-11-16-3-4-18-19(10-16)28-13-27-18/h3-5,7,9-10,12,15,22H,6,8,11,13H2,1-2H3
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| InChIKey |
NRQSVCDMDAGNQK-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