General Information of the Compound
| Compound ID |
CP0403591
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| Compound Name |
N'-[1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide
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| Structure |
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| Formula |
C19H24N4OS
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| Molecular Weight |
356.495
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| Canonical SMILES |
NC(=Nc1ccc2CCN(CCN3CC[C@@H](O)C3)c2c1)c1cccs1
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| InChI |
InChI=1S/C19H24N4OS/c20-19(18-2-1-11-25-18)21-15-4-3-14-5-8-23(17(14)12-15)10-9-22-7-6-16(24)13-22/h1-4,11-12,16,24H,5-10,13H2,(H2,20,21)/t16-/m1/s1
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| InChIKey |
AVKIYLJMBVXUEY-MRXNPFEDSA-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