General Information of the Compound
| Compound ID |
CP0470862
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| Compound Name |
2-[3-(5-chloro-2-methylphenyl)-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
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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)NC(=O)Cn1c(cn2cc(OCCCN3CCCCC3)cc2c1=O)-c1cc(Cl)ccc1C
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| InChI |
InChI=1S/C27H35ClN4O3/c1-19(2)29-26(33)18-32-25(23-14-21(28)9-8-20(23)3)17-31-16-22(15-24(31)27(32)34)35-13-7-12-30-10-5-4-6-11-30/h8-9,14-17,19H,4-7,10-13,18H2,1-3H3,(H,29,33)
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| InChIKey |
QCPBJBPZEQDHDW-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