General Information of the Compound
| Compound ID |
CP0962084
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| Compound Name |
benzyl 2-methyl-4-(5-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate
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| Structure |
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| Formula |
C25H28N6O4
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| Molecular Weight |
476.537
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(C(=O)OCc3ccccc3)C(C)C2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C25H28N6O4/c1-16-14-29(11-12-30(16)25(34)35-15-18-7-4-3-5-8-18)23(33)20-13-26-31(17(20)2)24-27-21-10-6-9-19(21)22(32)28-24/h3-5,7-8,13,16H,6,9-12,14-15H2,1-2H3,(H,27,28,32)
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| InChIKey |
QNGJZIMSLPLXQT-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