General Information of the Compound
| Compound ID |
CP0913654
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| Compound Name |
3-(4-(5-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazole-4-carbonyl)piperazine-1-carbonyl)bicyclo[1.1.1]pentane-1-carbonitrile
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| Structure |
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| Formula |
C23H25N7O3
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| Molecular Weight |
447.499
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(C(=O)C34CC(C#N)(C3)C4)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C23H25N7O3/c1-14-16(9-25-30(14)21-26-17-4-2-3-15(17)18(31)27-21)19(32)28-5-7-29(8-6-28)20(33)23-10-22(11-23,12-23)13-24/h9H,2-8,10-12H2,1H3,(H,26,27,31)
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| InChIKey |
JWFOUXISBBQRQU-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