General Information of the Compound
| Compound ID |
CP0440377
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| Compound Name |
3-[4-(1-benzoyl-1H-indol-2-yl)phenyl]propanenitrile
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| Structure |
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| Formula |
C24H18N2O
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| Molecular Weight |
350.421
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| Canonical SMILES |
O=C(c1ccccc1)n1c(cc2ccccc12)-c1ccc(CCC#N)cc1
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| InChI |
InChI=1S/C24H18N2O/c25-16-6-7-18-12-14-19(15-13-18)23-17-21-10-4-5-11-22(21)26(23)24(27)20-8-2-1-3-9-20/h1-5,8-15,17H,6-7H2
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| InChIKey |
QTTITSQRAWWOBG-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