General Information of the Compound
| Compound ID |
CP0145581
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| Compound Name |
7-(4-{[4-(6-fluoro-1H-1,3-benzodiazol-2-yl)piperidin-1-yl]methyl}phenyl)-6-phenylpyrido[2,3-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C32H28FN7
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| Molecular Weight |
529.623
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| Canonical SMILES |
Nc1ncnc2nc(-c3ccc(CN4CCC(CC4)c4nc5ccc(F)cc5[nH]4)cc3)c(cc12)-c1ccccc1
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| InChI |
InChI=1S/C32H28FN7/c33-24-10-11-27-28(16-24)38-31(37-27)23-12-14-40(15-13-23)18-20-6-8-22(9-7-20)29-25(21-4-2-1-3-5-21)17-26-30(34)35-19-36-32(26)39-29/h1-11,16-17,19,23H,12-15,18H2,(H,37,38)(H2,34,35,36,39)
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| InChIKey |
ZITKIWQPLLVEKI-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