General Information of the Compound
| Compound ID |
CP0538008
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| Compound Name |
2-[4-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-methoxyphenyl)pyrido[1,2-c]pyrimidine-1,3-dione
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| Structure |
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| Formula |
C33H36N4O4
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| Molecular Weight |
552.675
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| Canonical SMILES |
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5OC)c5ccccn5c4=O)C3)c2c1
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| InChI |
InChI=1S/C33H36N4O4/c1-40-24-14-15-28-26(20-24)27(21-34-28)23-10-9-17-35(22-23)16-7-8-19-37-32(38)31(25-11-3-4-13-30(25)41-2)29-12-5-6-18-36(29)33(37)39/h3-6,11-15,18,20-21,23,34H,7-10,16-17,19,22H2,1-2H3
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| InChIKey |
BDUNEIZTJAOINC-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