General Information of the Compound
| Compound ID |
CP0523864
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| Compound Name |
2-[3-(3-chlorophenyl)-1-oxo-7-(4-piperidin-1-ylpiperidin-1-yl)pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
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| Structure |
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| Formula |
C28H36ClN5O2
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| Molecular Weight |
510.082
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| Canonical SMILES |
CC(C)NC(=O)Cn1c(cn2cc(cc2c1=O)N1CCC(CC1)N1CCCCC1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C28H36ClN5O2/c1-20(2)30-27(35)19-34-26(21-7-6-8-22(29)15-21)18-33-17-24(16-25(33)28(34)36)32-13-9-23(10-14-32)31-11-4-3-5-12-31/h6-8,15-18,20,23H,3-5,9-14,19H2,1-2H3,(H,30,35)
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| InChIKey |
QSHITXWINJBTRP-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