General Information of the Compound
| Compound ID |
CP0513311
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| Compound Name |
4-[[2-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]benzonitrile
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| Structure |
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| Formula |
C21H15N5O
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| Molecular Weight |
353.385
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| Canonical SMILES |
COc1cccc(c1)-c1nc(Nc2ccc(cc2)C#N)c2cccnc2n1
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| InChI |
InChI=1S/C21H15N5O/c1-27-17-5-2-4-15(12-17)19-25-20-18(6-3-11-23-20)21(26-19)24-16-9-7-14(13-22)8-10-16/h2-12H,1H3,(H,23,24,25,26)
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| InChIKey |
CYPHXGDCKLHLRF-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