General Information of the Compound
| Compound ID |
CP0423145
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| Compound Name |
2-[4-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-4-(2-methylphenyl)-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
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| Structure |
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| Formula |
C33H40N4O3
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| Molecular Weight |
540.708
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| Canonical SMILES |
COc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(c5CCCCn5c4=O)-c4ccccc4C)C3)c2c1
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| InChI |
InChI=1S/C33H40N4O3/c1-23-10-3-4-12-26(23)31-30-13-5-6-18-36(30)33(39)37(32(31)38)19-8-7-16-35-17-9-11-24(22-35)28-21-34-29-15-14-25(40-2)20-27(28)29/h3-4,10,12,14-15,20-21,24,34H,5-9,11,13,16-19,22H2,1-2H3
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| InChIKey |
AXHPLUSKGDVRJM-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