General Information of the Compound
| Compound ID |
CP0713541
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| Compound Name |
2-(5-methyl-4-(9-(2,2,2-trifluoroethyl)-3,9-diazabicyclo[3.3.1]nonane-3-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 |
C21H25F3N6O2
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| Molecular Weight |
450.465
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| Canonical SMILES |
Cc1c(C(=O)N2CC3CCCC(C2)N3CC(F)(F)F)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C21H25F3N6O2/c1-12-16(8-25-30(12)20-26-17-7-3-6-15(17)18(31)27-20)19(32)28-9-13-4-2-5-14(10-28)29(13)11-21(22,23)24/h8,13-14H,2-7,9-11H2,1H3,(H,26,27,31)
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| InChIKey |
RMTJVBJQIFAKKD-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