General Information of the Compound
| Compound ID |
CP0913093
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| Compound Name |
trans-N-(3-(4-(dimethylamino)cyclohexyl)-1H-indol-5-yl)thiophene-2-carboximidamide hydrochloride
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| Formula |
C21H27ClN4S
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| Molecular Weight |
402.995
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| Canonical SMILES |
CN(C)[C@H]1CC[C@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc32)CC1.Cl
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| InChI |
InChI=1S/C21H26N4S.ClH/c1-25(2)16-8-5-14(6-9-16)18-13-23-19-10-7-15(12-17(18)19)24-21(22)20-4-3-11-26-20;/h3-4,7,10-14,16,23H,5-6,8-9H2,1-2H3,(H2,22,24);1H/t14-,16-;
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| InChIKey |
KWGNEMHDJWLIGQ-SWQINVOKSA-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: PT01026, Sodium-dependent noradrenaline transporter