General Information of the Compound
| Compound ID |
CP0434511
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| Compound Name |
ethyl 2-amino-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carboxylate
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| Structure |
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| Formula |
C29H30ClN5O3
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| Molecular Weight |
532.044
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| Canonical SMILES |
CCOC(=O)C1=C(N)N(C2=C(C1c1c(C)nn(c1Cl)-c1ccccc1)C(=O)CC(C)(C)C2)c1cccnc1
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| InChI |
InChI=1S/C29H30ClN5O3/c1-5-38-28(37)25-24(22-17(2)33-35(26(22)30)18-10-7-6-8-11-18)23-20(14-29(3,4)15-21(23)36)34(27(25)31)19-12-9-13-32-16-19/h6-13,16,24H,5,14-15,31H2,1-4H3
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| InChIKey |
GMPIBQYTFFEVKY-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