General Information of the Compound
| Compound ID |
CP0279580
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| Compound Name |
N',N'-dimethyl-N-[6-phenyl-7-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-d]pyrimidin-2-yl]ethane-1,2-diamine
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| Structure |
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| Formula |
C36H38N10
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| Molecular Weight |
610.77
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| Canonical SMILES |
CN(C)CCNc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
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| InChI |
InChI=1S/C36H38N10/c1-45(2)21-18-38-36-39-23-29-22-30(26-8-4-3-5-9-26)32(40-33(29)42-36)27-13-11-25(12-14-27)24-46-19-15-28(16-20-46)34-41-35(44-43-34)31-10-6-7-17-37-31/h3-14,17,22-23,28H,15-16,18-21,24H2,1-2H3,(H,41,43,44)(H,38,39,40,42)
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| InChIKey |
DXXDEHCBUVTKSQ-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