General Information of the Compound
| Compound ID |
CP0910864
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| Compound Name |
N-{1-[3-(Adamantan-1-ylamino)-propyl]-1H-indol-5-yl}-thiophene-2-carboxamidine dihydrochloride
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| Structure |
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| Formula |
C26H34Cl2N4S
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| Molecular Weight |
505.559
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| Canonical SMILES |
Cl.Cl.N=C(Nc1ccc2c(ccn2CCCNC23CC4CC(CC(C4)C2)C3)c1)c1cccs1
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| InChI |
InChI=1S/C26H32N4S.2ClH/c27-25(24-3-1-10-31-24)29-22-4-5-23-21(14-22)6-9-30(23)8-2-7-28-26-15-18-11-19(16-26)13-20(12-18)17-26;;/h1,3-6,9-10,14,18-20,28H,2,7-8,11-13,15-17H2,(H2,27,29);2*1H
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| InChIKey |
IAXPTXHWPXZJHZ-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