General Information of the Compound
| Compound ID |
CP0059390
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| Compound Name |
N-[4-(2-pyridin-2-ylethynyl)cyclohex-3-en-1-yl]naphthalen-2-amine
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| Structure |
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| Formula |
C23H20N2
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| Molecular Weight |
324.427
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| Canonical SMILES |
C1CC(=CCC1Nc1ccc2ccccc2c1)C#Cc1ccccn1
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| InChI |
InChI=1S/C23H20N2/c1-2-6-20-17-23(15-11-19(20)5-1)25-22-13-9-18(10-14-22)8-12-21-7-3-4-16-24-21/h1-7,9,11,15-17,22,25H,10,13-14H2
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| InChIKey |
GXNDHQVYOXLGFK-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