General Information of the Compound
| Compound ID |
CP0768928
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| Compound Name |
N-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-N-isopropyl-5-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C24H27N5O4
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| Molecular Weight |
449.511
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| Canonical SMILES |
Cc1c(C(=O)N(CC2COc3ccccc3O2)C(C)C)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C24H27N5O4/c1-14(2)28(12-16-13-32-20-9-4-5-10-21(20)33-16)23(31)18-11-25-29(15(18)3)24-26-19-8-6-7-17(19)22(30)27-24/h4-5,9-11,14,16H,6-8,12-13H2,1-3H3,(H,26,27,30)
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| InChIKey |
UGLUQATVVPXELR-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