General Information of the Compound
| Compound ID |
CP0051736
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| Compound Name |
3-(5-((4-acetylpiperazin-1-yl)methyl)-1H-indol-2-yl)-6-(1-methyl-1H-pyrazol-4-yl)quinolin-2(1H)-one
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| Structure |
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| Formula |
C28H28N6O2
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| Molecular Weight |
480.572
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| Canonical SMILES |
CC(=O)N1CCN(Cc2ccc3[nH]c(cc3c2)-c2cc3cc(ccc3[nH]c2=O)-c2cnn(C)c2)CC1
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| InChI |
InChI=1S/C28H28N6O2/c1-18(35)34-9-7-33(8-10-34)16-19-3-5-25-21(11-19)14-27(30-25)24-13-22-12-20(23-15-29-32(2)17-23)4-6-26(22)31-28(24)36/h3-6,11-15,17,30H,7-10,16H2,1-2H3,(H,31,36)
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| InChIKey |
LDSLNFUFDXDXJV-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