General Information of the Compound
| Compound ID |
CP0221154
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| Compound Name |
2-{[3-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}amino)propyl](2-hydroxyethyl)amino}ethan-1-ol
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| Structure |
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| Formula |
C20H25BrN6O2
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| Molecular Weight |
461.364
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| Canonical SMILES |
OCCN(CCO)CCCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
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| InChI |
InChI=1S/C20H25BrN6O2/c21-15-3-1-4-16(11-15)26-20-17-12-19(23-13-18(17)24-14-25-20)22-5-2-6-27(7-9-28)8-10-29/h1,3-4,11-14,28-29H,2,5-10H2,(H,22,23)(H,24,25,26)
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| InChIKey |
YQPDGPGZDSDTPY-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