General Information of the Compound
| Compound ID |
CP0962083
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| Compound Name |
2-(5-methyl-4-(2-(pyridin-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 |
C22H24N6O2
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| Molecular Weight |
404.474
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| Canonical SMILES |
Cc1c(C(=O)N2CCCCC2c2cccnc2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C22H24N6O2/c1-14-17(13-24-28(14)22-25-18-8-4-7-16(18)20(29)26-22)21(30)27-11-3-2-9-19(27)15-6-5-10-23-12-15/h5-6,10,12-13,19H,2-4,7-9,11H2,1H3,(H,25,26,29)
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| InChIKey |
RBAICXNNIGRGNL-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