General Information of the Compound
| Compound ID |
CP0464441
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| Compound Name |
2-[4-[(2-propylindol-1-yl)methyl]phenyl]benzonitrile
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| Structure |
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| Formula |
C25H22N2
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| Molecular Weight |
350.465
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| Canonical SMILES |
CCCc1cc2ccccc2n1Cc1ccc(cc1)-c1ccccc1C#N
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| InChI |
InChI=1S/C25H22N2/c1-2-7-23-16-21-8-4-6-11-25(21)27(23)18-19-12-14-20(15-13-19)24-10-5-3-9-22(24)17-26/h3-6,8-16H,2,7,18H2,1H3
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| InChIKey |
RGTRCARSZFHHBX-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