General Information of the Compound
| Compound ID |
CP0151960
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| Compound Name |
4-N-(3-bromophenyl)-6-N-[3-(diethylamino)-2-hydroxypropyl]pyrido[3,4-d]pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C20H25BrN6O
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| Molecular Weight |
445.365
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| Canonical SMILES |
CCN(CC)CC(O)CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
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| InChI |
InChI=1S/C20H25BrN6O/c1-3-27(4-2)12-16(28)10-22-19-9-17-18(11-23-19)24-13-25-20(17)26-15-7-5-6-14(21)8-15/h5-9,11,13,16,28H,3-4,10,12H2,1-2H3,(H,22,23)(H,24,25,26)
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| InChIKey |
RNIMVALSZBLGMI-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