General Information of the Compound
| Compound ID |
CP0553887
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| Compound Name |
2-amino-4-(5-chloro-3-methyl-1-phenylpyrazol-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 |
C25H21ClN6O
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| Molecular Weight |
456.937
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| Canonical SMILES |
Cc1nn(c(Cl)c1C1C(C#N)=C(N)N(C2=C1C(=O)CCC2)c1cccnc1)-c1ccccc1
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| InChI |
InChI=1S/C25H21ClN6O/c1-15-21(24(26)32(30-15)16-7-3-2-4-8-16)22-18(13-27)25(28)31(17-9-6-12-29-14-17)19-10-5-11-20(33)23(19)22/h2-4,6-9,12,14,22H,5,10-11,28H2,1H3
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| InChIKey |
CGQMUBQETZXNJH-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