General Information of the Compound
| Compound ID |
CP0563636
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| Compound Name |
4-(2-chlorophenyl)-2-[4-[3-(5-methoxy-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 |
C32H33ClN4O3
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| Molecular Weight |
557.094
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| Canonical SMILES |
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5Cl)c5ccccn5c4=O)C3)c2c1
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| InChI |
InChI=1S/C32H33ClN4O3/c1-40-23-13-14-28-25(19-23)26(20-34-28)22-9-8-16-35(21-22)15-6-7-18-37-31(38)30(24-10-2-3-11-27(24)33)29-12-4-5-17-36(29)32(37)39/h2-5,10-14,17,19-20,22,34H,6-9,15-16,18,21H2,1H3
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| InChIKey |
GRTMBFNEAOAQJS-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