General Information of the Compound
| Compound ID |
CP0448962
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| Compound Name |
4-[2-[5-(4-chlorophenyl)pyridin-2-yl]ethynyl]-N-(2-pyrrolidin-1-ylethyl)aniline
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| Structure |
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| Formula |
C25H24ClN3
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| Molecular Weight |
401.941
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| Canonical SMILES |
Clc1ccc(cc1)-c1ccc(nc1)C#Cc1ccc(NCCN2CCCC2)cc1
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| InChI |
InChI=1S/C25H24ClN3/c26-23-9-6-21(7-10-23)22-8-14-25(28-19-22)13-5-20-3-11-24(12-4-20)27-15-18-29-16-1-2-17-29/h3-4,6-12,14,19,27H,1-2,15-18H2
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| InChIKey |
PUUSAFFMWKKHNK-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