General Information of the Compound
| Compound ID |
CP0563637
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| Compound Name |
2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-fluorophenyl)pyrido[1,2-c]pyrimidine-1,3-dione
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| Structure |
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| Formula |
C31H30F2N4O2
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| Molecular Weight |
528.603
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| Canonical SMILES |
Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5F)c5ccccn5c4=O)C3)c2c1
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| InChI |
InChI=1S/C31H30F2N4O2/c32-22-12-13-27-24(18-22)25(19-34-27)21-8-7-15-35(20-21)14-5-6-17-37-30(38)29(23-9-1-2-10-26(23)33)28-11-3-4-16-36(28)31(37)39/h1-4,9-13,16,18-19,21,34H,5-8,14-15,17,20H2
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| InChIKey |
WWJIYPPDCNQYTL-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