General Information of the Compound
| Compound ID |
CP0195723
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| Compound Name |
6-phenyl-7-[4-({4-[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}methyl)phenyl]pyrido[2,3-d]pyrimidine-2-carbonitrile
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| Structure |
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| Formula |
C33H27N9
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| Molecular Weight |
549.642
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| Canonical SMILES |
N#Cc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
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| InChI |
InChI=1S/C33H27N9/c34-19-29-36-20-26-18-27(23-6-2-1-3-7-23)30(38-31(26)37-29)24-11-9-22(10-12-24)21-42-16-13-25(14-17-42)32-39-33(41-40-32)28-8-4-5-15-35-28/h1-12,15,18,20,25H,13-14,16-17,21H2,(H,39,40,41)
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| InChIKey |
CCGWIBJBGYEFLK-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