General Information of the Compound
| Compound ID |
CP0570562
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| Compound Name |
2-[4-[3-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-4-phenyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidine-1,3-dione
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| Structure |
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| Formula |
C31H35FN4O2
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| Molecular Weight |
514.645
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| Canonical SMILES |
Fc1ccc2[nH]cc(C3CCCN(CCCCn4c(=O)c(-c5ccccc5)c5CCCCn5c4=O)C3)c2c1
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| InChI |
InChI=1S/C31H35FN4O2/c32-24-13-14-27-25(19-24)26(20-33-27)23-11-8-16-34(21-23)15-6-7-18-36-30(37)29(22-9-2-1-3-10-22)28-12-4-5-17-35(28)31(36)38/h1-3,9-10,13-14,19-20,23,33H,4-8,11-12,15-18,21H2
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| InChIKey |
YAURWMTXYJBMEC-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