General Information of the Compound
| Compound ID |
CP0504724
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| Compound Name |
(+/-)-benzyl 2-methyl-4-(N-phenylacetamido)-3,4-dihydroquinoline-1(2H)-carboxylate
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| Structure |
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| Formula |
C26H26N2O3
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| Molecular Weight |
414.505
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| Canonical SMILES |
CC1CC(N(C(C)=O)c2ccccc2)c2ccccc2N1C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C26H26N2O3/c1-19-17-25(28(20(2)29)22-13-7-4-8-14-22)23-15-9-10-16-24(23)27(19)26(30)31-18-21-11-5-3-6-12-21/h3-16,19,25H,17-18H2,1-2H3
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| InChIKey |
SGMQSXYNZSKAJM-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