General Information of the Compound
| Compound ID |
CP0102145
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| Compound Name |
6-(4-Methoxy-3,5-dimethyl-phenyl)-4-oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic acid adamantan-1-ylamide
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| Structure |
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| Formula |
C34H42N2O3
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| Molecular Weight |
526.721
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| Canonical SMILES |
CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1cc(C)c(OC)c(C)c1
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| InChI |
InChI=1S/C34H42N2O3/c1-5-6-7-10-36-20-29(33(38)35-34-17-23-13-24(18-34)15-25(14-23)19-34)31(37)28-16-26(8-9-30(28)36)27-11-21(2)32(39-4)22(3)12-27/h8-9,11-12,16,20,23-25H,5-7,10,13-15,17-19H2,1-4H3,(H,35,38)
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| InChIKey |
FKDWSRCLKCUSQQ-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