General Information of the Compound
| Compound ID |
CP0079164
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| Compound Name |
3-[4-Amino-7-(4-dimethylamino-phenyl)-pyrido[2,3-d]pyrimidin-6-yl]-benzoic acid methyl ester
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| Structure |
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| Formula |
C23H21N5O2
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| Molecular Weight |
399.454
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| Canonical SMILES |
COC(=O)c1cccc(c1)-c1cc2c(N)ncnc2nc1-c1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C23H21N5O2/c1-28(2)17-9-7-14(8-10-17)20-18(12-19-21(24)25-13-26-22(19)27-20)15-5-4-6-16(11-15)23(29)30-3/h4-13H,1-3H3,(H2,24,25,26,27)
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| InChIKey |
YQRGMPPHNXHQSV-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