General Information of the Compound
| Compound ID |
CP0534636
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| Compound Name |
2-[6-(3-chloro-4-fluorophenyl)-4-oxo-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide
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| Structure |
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| Formula |
C25H31ClFN5O3
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| Molecular Weight |
504.006
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| Canonical SMILES |
CC(C)NC(=O)Cn1c(cn2nc(OCCCN3CCCCC3)cc2c1=O)-c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C25H31ClFN5O3/c1-17(2)28-23(33)16-31-22(18-7-8-20(27)19(26)13-18)15-32-21(25(31)34)14-24(29-32)35-12-6-11-30-9-4-3-5-10-30/h7-8,13-15,17H,3-6,9-12,16H2,1-2H3,(H,28,33)
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| InChIKey |
YNKPWSNBOYIQAJ-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