General Information of the Compound
| Compound ID |
CP0502135
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| Compound Name |
2-[3-(3-chlorophenyl)-1-oxo-7-[3-[3-(trifluoromethyl)pyrrolidin-1-yl]propoxy]pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
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| Structure |
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| Formula |
C26H30ClF3N4O3
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| Molecular Weight |
538.998
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| Canonical SMILES |
CC(C)NC(=O)Cn1c(cn2cc(OCCCN3CCC(C3)C(F)(F)F)cc2c1=O)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C26H30ClF3N4O3/c1-17(2)31-24(35)16-34-23(18-5-3-6-20(27)11-18)15-33-14-21(12-22(33)25(34)36)37-10-4-8-32-9-7-19(13-32)26(28,29)30/h3,5-6,11-12,14-15,17,19H,4,7-10,13,16H2,1-2H3,(H,31,35)
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| InChIKey |
PXNZIFGWTMVXEB-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