General Information of the Compound
| Compound ID |
CP0538299
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| Compound Name |
5-[(2-aminoethylamino)methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one
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| Formula |
C24H25N5O2
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| Molecular Weight |
415.497
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| Canonical SMILES |
Cc1cc(C)cc(c1)-c1cnc2ncn(-c3cccc(O)c3)c(=O)c2c1CNCCN
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| InChI |
InChI=1S/C24H25N5O2/c1-15-8-16(2)10-17(9-15)20-13-27-23-22(21(20)12-26-7-6-25)24(31)29(14-28-23)18-4-3-5-19(30)11-18/h3-5,8-11,13-14,26,30H,6-7,12,25H2,1-2H3
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| InChIKey |
XAJTTWADQGUPEK-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