General Information of the Compound
| Compound ID |
CP0726214
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| Compound Name |
2-(4-(4-(2,4-difluorophenyl)piperazine-1-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 |
C22H22F2N6O2
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| Molecular Weight |
440.454
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| Canonical SMILES |
Cc1c(C(=O)N2CCN(c3ccc(F)cc3F)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C22H22F2N6O2/c1-13-16(12-25-30(13)22-26-18-4-2-3-15(18)20(31)27-22)21(32)29-9-7-28(8-10-29)19-6-5-14(23)11-17(19)24/h5-6,11-12H,2-4,7-10H2,1H3,(H,26,27,31)
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| InChIKey |
AGBCMUTZOLXZNP-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