General Information of the Compound
| Compound ID |
CP0868891
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| Compound Name |
2-(5-methyl-4-(4-(1-methyl-1H-indol-3-yl)piperidine-1-carbonyl)-1H-pyrazol-1-yl)-6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one
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| Structure |
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| Formula |
C26H28N6O2
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| Molecular Weight |
456.55
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(c3cn(C)c4ccccc34)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C26H28N6O2/c1-16-20(14-27-32(16)26-28-22-8-5-7-19(22)24(33)29-26)25(34)31-12-10-17(11-13-31)21-15-30(2)23-9-4-3-6-18(21)23/h3-4,6,9,14-15,17H,5,7-8,10-13H2,1-2H3,(H,28,29,33)
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| InChIKey |
WLWIDCFOVNIMMY-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