General Information of the Compound
| Compound ID |
CP0442441
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| Compound Name |
2-chloro-6-(3-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)propoxy)benzonitrile
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| Structure |
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| Formula |
C24H25ClN2O
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| Molecular Weight |
392.93
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| Canonical SMILES |
CC(C)(Cc1ccc2ccccc2c1)NCCCOc1cccc(Cl)c1C#N
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| InChI |
InChI=1S/C24H25ClN2O/c1-24(2,16-18-11-12-19-7-3-4-8-20(19)15-18)27-13-6-14-28-23-10-5-9-22(25)21(23)17-26/h3-5,7-12,15,27H,6,13-14,16H2,1-2H3
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| InChIKey |
XJFHSDFNPRKVBK-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