General Information of the Compound
| Compound ID |
CP0545316
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| Compound Name |
N-tert-butyl-2-[3-(3-chlorophenyl)-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]acetamide
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| Structure |
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| Formula |
C27H35ClN4O3
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| Molecular Weight |
499.055
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| Canonical SMILES |
CC(C)(C)NC(=O)Cn1c(cn2cc(OCCCN3CCCCC3)cc2c1=O)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C27H35ClN4O3/c1-27(2,3)29-25(33)19-32-24(20-9-7-10-21(28)15-20)18-31-17-22(16-23(31)26(32)34)35-14-8-13-30-11-5-4-6-12-30/h7,9-10,15-18H,4-6,8,11-14,19H2,1-3H3,(H,29,33)
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| InChIKey |
ZRSUSJWUZLWDOF-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