General Information of the Compound
| Compound ID |
CP0577067
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| Compound Name |
4-(4-chlorophenyl)-2-[4-[3-(1H-indol-3-yl)piperidin-1-yl]butyl]pyrido[1,2-c]pyrimidine-1,3-dione
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| Structure |
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| Formula |
C31H31ClN4O2
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| Molecular Weight |
527.068
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| Canonical SMILES |
Clc1ccc(cc1)-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O
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| InChI |
InChI=1S/C31H31ClN4O2/c32-24-14-12-22(13-15-24)29-28-11-3-4-18-35(28)31(38)36(30(29)37)19-6-5-16-34-17-7-8-23(21-34)26-20-33-27-10-2-1-9-25(26)27/h1-4,9-15,18,20,23,33H,5-8,16-17,19,21H2
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| InChIKey |
YEKFBHWENILBLS-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