General Information of the Compound
| Compound ID |
CP0381786
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| Compound Name |
3,3-dimethyl-1-[4-[3-[1-(3-nitropyridin-2-yl)piperidin-4-ylidene]prop-1-ynyl]phenyl]azetidin-2-one
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| Structure |
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| Formula |
C24H24N4O3
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| Molecular Weight |
416.481
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| Canonical SMILES |
CC1(C)CN(C1=O)c1ccc(cc1)C#CC=C1CCN(CC1)c1ncccc1[N+]([O-])=O
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| InChI |
InChI=1S/C24H24N4O3/c1-24(2)17-27(23(24)29)20-10-8-18(9-11-20)5-3-6-19-12-15-26(16-13-19)22-21(28(30)31)7-4-14-25-22/h4,6-11,14H,12-13,15-17H2,1-2H3
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| InChIKey |
VRZDSHWONUJHHO-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