General Information of the Compound
| Compound ID |
CP0895913
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| Compound Name |
(+/-)-N-(1-(Piperidin-3-yl)indolin-5-yl)thiophene-2-carboximidamide dihydrochloride
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| Structure |
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| Formula |
C18H24Cl2N4S
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| Molecular Weight |
399.391
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| Canonical SMILES |
Cl.Cl.N=C(Nc1ccc2c(c1)CCN2C1CCCNC1)c1cccs1
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| InChI |
InChI=1S/C18H22N4S.2ClH/c19-18(17-4-2-10-23-17)21-14-5-6-16-13(11-14)7-9-22(16)15-3-1-8-20-12-15;;/h2,4-6,10-11,15,20H,1,3,7-9,12H2,(H2,19,21);2*1H
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| InChIKey |
WAIKTIFJOLZDCZ-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