General Information of the Compound
| Compound ID |
CP0946425
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide
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| Structure |
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| Formula |
C25H23F2N5O2
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| Molecular Weight |
463.488
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| Canonical SMILES |
N#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2cc3n(n2)CCC3)c1
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| InChI |
InChI=1S/C25H23F2N5O2/c26-17-4-6-24(20(27)13-17)34-19-7-10-31(11-8-19)23-5-3-16(15-28)12-21(23)29-25(33)22-14-18-2-1-9-32(18)30-22/h3-6,12-14,19H,1-2,7-11H2,(H,29,33)
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| InChIKey |
JYYJJTDBAQQRNF-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