General Information of the Compound
| Compound ID |
CP0887415
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| Compound Name |
(+/-)-N-(1-(pyrrolidin-3-yl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-yl)thiophene-2-carboximidamide dihydrochloride
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| Structure |
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| Formula |
C19H26Cl2N4S
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| Molecular Weight |
413.418
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| Canonical SMILES |
Cl.Cl.N=C(Nc1ccc2c(c1)CCCCN2C1CCNC1)c1cccs1
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| InChI |
InChI=1S/C19H24N4S.2ClH/c20-19(18-5-3-11-24-18)22-15-6-7-17-14(12-15)4-1-2-10-23(17)16-8-9-21-13-16;;/h3,5-7,11-12,16,21H,1-2,4,8-10,13H2,(H2,20,22);2*1H
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| InChIKey |
SRDBGIHDNYGFTI-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