General Information of the Compound
| Compound ID |
CP0397593
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| Compound Name |
(E)-N-[(Z)-5-(3-methoxyphenyl)-3-methylpent-2-en-4-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine
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| Structure |
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| Formula |
C19H22N2O2
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| Molecular Weight |
310.397
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| Canonical SMILES |
COc1cccc(c1)C#C\C(C)=C/CO\N=C1\CN2CCC1C2
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| InChI |
InChI=1S/C19H22N2O2/c1-15(6-7-16-4-3-5-18(12-16)22-2)9-11-23-20-19-14-21-10-8-17(19)13-21/h3-5,9,12,17H,8,10-11,13-14H2,1-2H3/b15-9-,20-19-
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| InChIKey |
RQLWUVFUIBMGAI-RBVZTRIESA-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