General Information of the Compound
| Compound ID |
CP0507633
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| Compound Name |
2-[3-(3-chlorophenyl)-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-(cyclopropylmethyl)acetamide
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| Structure |
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| Formula |
C27H33ClN4O3
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| Molecular Weight |
497.039
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| Canonical SMILES |
Clc1cccc(c1)-c1cn2cc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NCC1CC1
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| InChI |
InChI=1S/C27H33ClN4O3/c28-22-7-4-6-21(14-22)25-18-31-17-23(35-13-5-12-30-10-2-1-3-11-30)15-24(31)27(34)32(25)19-26(33)29-16-20-8-9-20/h4,6-7,14-15,17-18,20H,1-3,5,8-13,16,19H2,(H,29,33)
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| InChIKey |
IBEMAWPWVKWRNT-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