General Information of the Compound
| Compound ID |
CP0387926
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| Compound Name |
4-[[3-(1,3-benzodioxol-5-ylmethylamino)propyl-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)amino]methyl]phenol
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| Structure |
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| Formula |
C23H24N6O3S
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| Molecular Weight |
464.551
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| Canonical SMILES |
Oc1ccc(CN(CCCNCc2ccc3OCOc3c2)c2nc(ns2)-n2ccnc2)cc1
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| InChI |
InChI=1S/C23H24N6O3S/c30-19-5-2-17(3-6-19)14-28(23-26-22(27-33-23)29-11-9-25-15-29)10-1-8-24-13-18-4-7-20-21(12-18)32-16-31-20/h2-7,9,11-12,15,24,30H,1,8,10,13-14,16H2
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| InChIKey |
RVMISEPCRDAPNU-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