General Information of the Compound
| Compound ID |
CP0448315
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| Compound Name |
N'-[1-(oxan-4-yl)-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide
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| Structure |
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| Formula |
C18H21N3OS
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| Molecular Weight |
327.453
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| Canonical SMILES |
NC(=Nc1ccc2CCN(C3CCOCC3)c2c1)c1cccs1
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| InChI |
InChI=1S/C18H21N3OS/c19-18(17-2-1-11-23-17)20-14-4-3-13-5-8-21(16(13)12-14)15-6-9-22-10-7-15/h1-4,11-12,15H,5-10H2,(H2,19,20)
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| InChIKey |
ALFFEMXVJSGMTD-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