General Information of the Compound
| Compound ID |
CP0521178
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| Compound Name |
1-(2-fluoro-6-(trifluoromethyl)benzyl)-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 |
C35H35F4N5O2S
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| Molecular Weight |
665.757
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| Canonical SMILES |
CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3sc4ccccc4c3C)CCc2n(Cc2c(F)cccc2C(F)(F)F)c1=O
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| InChI |
InChI=1S/C35H35F4N5O2S/c1-23-25-9-3-4-12-31(25)47-32(23)22-42-17-14-30-27(20-42)33(45)43(19-18-41(2)16-13-24-8-5-6-15-40-24)34(46)44(30)21-26-28(35(37,38)39)10-7-11-29(26)36/h3-12,15H,13-14,16-22H2,1-2H3
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| InChIKey |
IUUWULWFDTYCPB-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