General Information of the Compound
| Compound ID |
CP0275062
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| Compound Name |
N-cyclopentyl-4-(2-pyridin-2-ylethynyl)cyclohex-3-en-1-amine
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| Structure |
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| Formula |
C18H22N2
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| Molecular Weight |
266.388
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| Canonical SMILES |
C1CCC(C1)NC1CCC(=CC1)C#Cc1ccccn1
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| InChI |
InChI=1S/C18H22N2/c1-2-7-17(6-1)20-18-12-9-15(10-13-18)8-11-16-5-3-4-14-19-16/h3-5,9,14,17-18,20H,1-2,6-7,10,12-13H2
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| InChIKey |
YIDWDVLMCROUKN-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