General Information of the Compound
| Compound ID |
CP0432822
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| Compound Name |
4-Methyl-3-oxo-2,3,5,6-tetrahydro-1H-pyrido[1,2-a]quinoline-8-carboxylic acid 4-tert-butylcarbamoyl-phenyl ester
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| Structure |
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| Formula |
C26H28N2O4
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| Molecular Weight |
432.52
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| Canonical SMILES |
CC1=C2CCc3cc(ccc3N2CCC1=O)C(=O)Oc1ccc(cc1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C26H28N2O4/c1-16-21-11-7-18-15-19(8-12-22(18)28(21)14-13-23(16)29)25(31)32-20-9-5-17(6-10-20)24(30)27-26(2,3)4/h5-6,8-10,12,15H,7,11,13-14H2,1-4H3,(H,27,30)
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| InChIKey |
PGSOVLHAXMFDCD-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