General Information of the Compound
| Compound ID |
CP0487812
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| Compound Name |
2-[3-(3-methoxyphenyl)-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 |
C27H36N4O4
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| Molecular Weight |
480.609
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| Canonical SMILES |
COc1cccc(c1)-c1cn2cc(OCCCN3CCCCC3)cc2c(=O)n1CC(=O)NC(C)C
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| InChI |
InChI=1S/C27H36N4O4/c1-20(2)28-26(32)19-31-25(21-9-7-10-22(15-21)34-3)18-30-17-23(16-24(30)27(31)33)35-14-8-13-29-11-5-4-6-12-29/h7,9-10,15-18,20H,4-6,8,11-14,19H2,1-3H3,(H,28,32)
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| InChIKey |
CKFALHWLBDUMCP-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