General Information of the Compound
| Compound ID |
CP0549465
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| Compound Name |
2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-methoxyphenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
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| Structure |
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| Formula |
C32H37FN4O3
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| Molecular Weight |
544.671
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| Canonical SMILES |
COc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O
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| InChI |
InChI=1S/C32H37FN4O3/c1-40-29-12-3-2-10-24(29)30-28-11-4-5-17-36(28)32(39)37(31(30)38)18-7-6-15-35-16-8-9-22(21-35)26-20-34-27-14-13-23(33)19-25(26)27/h2-3,10,12-14,19-20,22,34H,4-9,11,15-18,21H2,1H3
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| InChIKey |
UTIVZIPVLJDFEB-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