General Information of the Compound
| Compound ID |
CP0411220
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| Compound Name |
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-carbonitrile
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| Structure |
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| Formula |
C26H23ClN6O
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| Molecular Weight |
470.964
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| Canonical SMILES |
Cc1nn(c(Cl)c1C1C(C#N)=C(N)N(C2=C1C(=O)CCC2)c1cccnc1)-c1ccc(C)cc1
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| InChI |
InChI=1S/C26H23ClN6O/c1-15-8-10-17(11-9-15)33-25(27)22(16(2)31-33)23-19(13-28)26(29)32(18-5-4-12-30-14-18)20-6-3-7-21(34)24(20)23/h4-5,8-12,14,23H,3,6-7,29H2,1-2H3
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| InChIKey |
OPFYYYALZSRLSO-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