General Information of the Compound
| Compound ID |
CP0947150
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| Compound Name |
5-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-N-phenethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C23H24F3N5O3
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| Molecular Weight |
475.471
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| Canonical SMILES |
Cc1c(C(=O)N(CCc2ccccc2)CC(O)C(F)(F)F)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C23H24F3N5O3/c1-14-17(12-27-31(14)22-28-18-9-5-8-16(18)20(33)29-22)21(34)30(13-19(32)23(24,25)26)11-10-15-6-3-2-4-7-15/h2-4,6-7,12,19,32H,5,8-11,13H2,1H3,(H,28,29,33)
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| InChIKey |
UYILSPFUVZWKFS-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