General Information of the Compound
| Compound ID |
CP0158836
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| Compound Name |
2-((2S,6R)-2,6-dimethylmorpholino)-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
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| Structure |
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| Formula |
C38H39N9O
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| Molecular Weight |
637.792
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)O1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
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| InChI |
InChI=1S/C38H39N9O/c1-25-22-47(23-26(2)48-25)38-40-21-31-20-32(28-8-4-3-5-9-28)34(41-35(31)43-38)29-13-11-27(12-14-29)24-46-18-15-30(16-19-46)36-42-37(45-44-36)33-10-6-7-17-39-33/h3-14,17,20-21,25-26,30H,15-16,18-19,22-24H2,1-2H3,(H,42,44,45)/t25-,26+
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| InChIKey |
ZOAZOJRIZYTSSL-WMPKNSHKSA-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