General Information of the Compound
| Compound ID |
CP0761056
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| Compound Name |
2-Methyl-1-(3-methyl-5-oxo-cyclohexa-1,3-dienyl)-1H-pyrrole-3-carboxylic acid adamantan-1-ylamide
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| Structure |
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| Formula |
C23H28N2O2
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| Molecular Weight |
364.489
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| Canonical SMILES |
CC1=CC(=O)CC(n2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2C)=C1
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| InChI |
InChI=1S/C23H28N2O2/c1-14-5-19(10-20(26)6-14)25-4-3-21(15(25)2)22(27)24-23-11-16-7-17(12-23)9-18(8-16)13-23/h3-6,16-18H,7-13H2,1-2H3,(H,24,27)
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| InChIKey |
RNFJZJHXHZDIRZ-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