General Information of the Compound
| Compound ID |
CP0726216
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| Compound Name |
2-(4-(4-(6-fluoro-1H-indol-3-yl)piperidine-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 |
C25H25FN6O2
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| Molecular Weight |
460.513
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C25H25FN6O2/c1-14-19(13-28-32(14)25-29-21-4-2-3-18(21)23(33)30-25)24(34)31-9-7-15(8-10-31)20-12-27-22-11-16(26)5-6-17(20)22/h5-6,11-13,15,27H,2-4,7-10H2,1H3,(H,29,30,33)
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| InChIKey |
XGZVTZSFSYSBQJ-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