General Information of the Compound
| Compound ID |
CP0382505
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)propan-2-yl]ethane-1,2-diamine
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| Structure |
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| Formula |
C21H26N6O2
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| Molecular Weight |
394.479
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| Canonical SMILES |
Cc1cc(nc(n1)-n1ccnc1)C(C)(C)NCCNCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C21H26N6O2/c1-15-10-19(26-20(25-15)27-9-8-23-13-27)21(2,3)24-7-6-22-12-16-4-5-17-18(11-16)29-14-28-17/h4-5,8-11,13,22,24H,6-7,12,14H2,1-3H3
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| InChIKey |
FVRRUKLVJPNYEK-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