General Information of the Compound
Compound ID |
CP0557765
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Compound Name |
2-amino-4-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
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Structure |
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Formula |
C28H27ClN6O
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Molecular Weight |
499.018
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Canonical SMILES |
Cc1nn(c(Cl)c1C1C(C#N)=C(N)N(C2=C1C(=O)CC(C)(C)C2)c1cccnc1)-c1ccc(C)cc1
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InChI |
InChI=1S/C28H27ClN6O/c1-16-7-9-18(10-8-16)35-26(29)23(17(2)33-35)24-20(14-30)27(31)34(19-6-5-11-32-15-19)21-12-28(3,4)13-22(36)25(21)24/h5-11,15,24H,12-13,31H2,1-4H3
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InChIKey |
KYVHHTPEJUXMJM-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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