General Information of the Compound
| Compound ID |
CP0402039
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| Compound Name |
methyl 2-[4-amino-5-(3-bromophenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-6-yl]acetate
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| Structure |
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| Formula |
C20H15BrN4O2S
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| Molecular Weight |
455.337
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| Canonical SMILES |
COC(=O)Cc1c(nc2ncnc(N)c2c1-c1cccc(Br)c1)-c1cccs1
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| InChI |
InChI=1S/C20H15BrN4O2S/c1-27-15(26)9-13-16(11-4-2-5-12(21)8-11)17-19(22)23-10-24-20(17)25-18(13)14-6-3-7-28-14/h2-8,10H,9H2,1H3,(H2,22,23,24,25)
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| InChIKey |
QHGWHYZVJHJJSE-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