General Information of the Compound
| Compound ID |
CP0540222
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| Compound Name |
1-(2-fluorobenzyl)-3-(2-(methyl(2-(pyridin-2-yl)ethyl)amino)ethyl)-6-((3-methylbenzo[b]thiophen-2-yl)methyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4(1H,3H)-dione
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| Structure |
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| Formula |
C34H36FN5O2S
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| Molecular Weight |
597.76
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| Canonical SMILES |
CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3sc4ccccc4c3C)CCc2n(Cc2ccccc2F)c1=O
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| InChI |
InChI=1S/C34H36FN5O2S/c1-24-27-11-4-6-13-31(27)43-32(24)23-38-18-15-30-28(22-38)33(41)39(20-19-37(2)17-14-26-10-7-8-16-36-26)34(42)40(30)21-25-9-3-5-12-29(25)35/h3-13,16H,14-15,17-23H2,1-2H3
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| InChIKey |
XPLFJWZQERBCOJ-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