General Information of the Compound
| Compound ID |
CP0505596
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| Compound Name |
1-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 |
C34H37N5O2S
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| Molecular Weight |
579.77
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| Canonical SMILES |
CN(CCc1ccccn1)CCn1c(=O)c2CN(Cc3sc4ccccc4c3C)CCc2n(Cc2ccccc2)c1=O
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| InChI |
InChI=1S/C34H37N5O2S/c1-25-28-13-6-7-14-31(28)42-32(25)24-37-19-16-30-29(23-37)33(40)38(34(41)39(30)22-26-10-4-3-5-11-26)21-20-36(2)18-15-27-12-8-9-17-35-27/h3-14,17H,15-16,18-24H2,1-2H3
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| InChIKey |
CKXBNWWRXBYJLE-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