General Information of the Compound
| Compound ID |
CP0895048
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| Compound Name |
N-(1-(2-(Pyrrolidin-1-yl)acetyl)indolin-5-yl)thiophene-2-carboximidamide dihydrochloride
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| Structure |
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| Formula |
C19H24Cl2N4OS
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| Molecular Weight |
427.401
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| Canonical SMILES |
Cl.Cl.N=C(Nc1ccc2c(c1)CCN2C(=O)CN1CCCC1)c1cccs1
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| InChI |
InChI=1S/C19H22N4OS.2ClH/c20-19(17-4-3-11-25-17)21-15-5-6-16-14(12-15)7-10-23(16)18(24)13-22-8-1-2-9-22;;/h3-6,11-12H,1-2,7-10,13H2,(H2,20,21);2*1H
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| InChIKey |
VVCPPABXTSCSTO-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