General Information of the Compound
| Compound ID |
CP0870508
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| Compound Name |
trans-(+/-)-N-(3-(3-(Ethylamino)cyclohexyl)-1H-indol-5-yl)thiophene-2-carboximidamide hydrochloride
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| Structure |
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| Formula |
C21H27ClN4S
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| Molecular Weight |
402.995
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| Canonical SMILES |
CCN[C@H]1CCC[C@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)C1.Cl
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| InChI |
InChI=1S/C21H26N4S.ClH/c1-2-23-15-6-3-5-14(11-15)18-13-24-19-9-8-16(12-17(18)19)25-21(22)20-7-4-10-26-20;/h4,7-10,12-15,23-24H,2-3,5-6,11H2,1H3,(H2,22,25);1H/t14-,15-;/m0./s1
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| InChIKey |
MRZYSDFMLQKBFH-YYLIZZNMSA-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
Protein ID: PT01026, Sodium-dependent noradrenaline transporter