General Information of the Compound
| Compound ID |
CP0762922
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| Compound Name |
2-(4-(3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carbonyl)-5-methyl-1H-pyrazol-1-yl)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
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| Structure |
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| Formula |
C18H19F2N7O2
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| Molecular Weight |
403.393
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| Canonical SMILES |
Cc1c(C(=O)N2CC(N3CCC(F)(F)C3)C2)cnn1-c1nc2[nH]ccc2c(=O)[nH]1
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| InChI |
InChI=1S/C18H19F2N7O2/c1-10-13(16(29)26-7-11(8-26)25-5-3-18(19,20)9-25)6-22-27(10)17-23-14-12(2-4-21-14)15(28)24-17/h2,4,6,11H,3,5,7-9H2,1H3,(H2,21,23,24,28)
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| InChIKey |
MQPWSQPMEGNIGZ-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