General Information of the Compound
| Compound ID |
CP0913655
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| Compound Name |
2-(4-(2,2-difluoro-7-azaspiro[3.5]nonane-7-carbonyl)-5-methyl-1H-pyrazol-1-yl)-6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one
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| Structure |
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| Formula |
C20H23F2N5O2
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| Molecular Weight |
403.433
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| Canonical SMILES |
Cc1c(C(=O)N2CCC3(CC2)CC(F)(F)C3)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C20H23F2N5O2/c1-12-14(17(29)26-7-5-19(6-8-26)10-20(21,22)11-19)9-23-27(12)18-24-15-4-2-3-13(15)16(28)25-18/h9H,2-8,10-11H2,1H3,(H,24,25,28)
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| InChIKey |
ZUNGJTSGXYEPHG-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