General Information of the Compound
| Compound ID |
CP0387932
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrol-1-yl]-N-methylethanamine
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| Structure |
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| Formula |
C23H24N6O2
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| Molecular Weight |
416.485
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| Canonical SMILES |
CN(CCn1cccc1-c1cc(C)nc(n1)-n1ccnc1)Cc1ccc2OCOc2c1
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| InChI |
InChI=1S/C23H24N6O2/c1-17-12-19(26-23(25-17)29-9-7-24-15-29)20-4-3-8-28(20)11-10-27(2)14-18-5-6-21-22(13-18)31-16-30-21/h3-9,12-13,15H,10-11,14,16H2,1-2H3
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| InChIKey |
PJGFWFIITGNSCT-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