General Information of the Compound
| Compound ID |
CP0404973
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| Compound Name |
4-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]benzonitrile
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| Structure |
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| Formula |
C13H16ClN3
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| Molecular Weight |
249.745
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| Canonical SMILES |
CN(Cc1cc(Cl)ccc1C#N)C1CCNC1
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| InChI |
InChI=1S/C13H16ClN3/c1-17(13-4-5-16-8-13)9-11-6-12(14)3-2-10(11)7-15/h2-3,6,13,16H,4-5,8-9H2,1H3
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| InChIKey |
JRLQHFJOFRKAKS-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