General Information of the Compound
| Compound ID |
CP0444024
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| Compound Name |
2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-methylphenyl)pyrido[1,2-c]pyrimidine-1,3-dione
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| Structure |
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| Formula |
C32H33FN4O2
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| Molecular Weight |
524.64
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| Canonical SMILES |
Cc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O
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| InChI |
InChI=1S/C32H33FN4O2/c1-22-9-2-3-11-25(22)30-29-12-4-5-17-36(29)32(39)37(31(30)38)18-7-6-15-35-16-8-10-23(21-35)27-20-34-28-14-13-24(33)19-26(27)28/h2-5,9,11-14,17,19-20,23,34H,6-8,10,15-16,18,21H2,1H3
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| InChIKey |
FRVMIOPAPDQYQV-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