General Information of the Compound
| Compound ID |
CP0526479
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| Compound Name |
ethyl 2-amino-4-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C28H28ClN5O3
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| Molecular Weight |
518.017
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| Canonical SMILES |
CCOC(=O)C1=C(N)N(C2=C(C1c1c(C)nn(c1Cl)-c1ccc(C)cc1)C(=O)CCC2)c1cccnc1
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| InChI |
InChI=1S/C28H28ClN5O3/c1-4-37-28(36)25-24(22-17(3)32-34(26(22)29)18-12-10-16(2)11-13-18)23-20(8-5-9-21(23)35)33(27(25)30)19-7-6-14-31-15-19/h6-7,10-15,24H,4-5,8-9,30H2,1-3H3
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| InChIKey |
WARKQZDFXXXDAW-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