General Information of the Compound
| Compound ID |
CP0390832
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| Compound Name |
N-[3-[(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-methylamino]propyl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C17H18N6O3S
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| Molecular Weight |
386.437
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| Canonical SMILES |
CN(CCCNC(=O)c1ccc2OCOc2c1)c1nc(ns1)-n1ccnc1
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| InChI |
InChI=1S/C17H18N6O3S/c1-22(17-20-16(21-27-17)23-8-6-18-10-23)7-2-5-19-15(24)12-3-4-13-14(9-12)26-11-25-13/h3-4,6,8-10H,2,5,7,11H2,1H3,(H,19,24)
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| InChIKey |
KCGXTKSYTUDQLC-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