General Information of the Compound
| Compound ID |
CP0742607
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| Compound Name |
rac-4-chloro-2-(1-(methylamino)pentan-3-yloxy)benzonitrile hydrochloride
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| Structure |
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| Formula |
C13H18Cl2N2O
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| Molecular Weight |
289.206
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| Canonical SMILES |
CCC(CCNC)Oc1cc(Cl)ccc1C#N.Cl
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| InChI |
InChI=1S/C13H17ClN2O.ClH/c1-3-12(6-7-16-2)17-13-8-11(14)5-4-10(13)9-15;/h4-5,8,12,16H,3,6-7H2,1-2H3;1H
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| InChIKey |
ISUTYHCEBNDJBQ-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