General Information of the Compound
| Compound ID |
CP0167555
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| Compound Name |
N,N-dimethyl-1-[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]piperidin-4-amine
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| Structure |
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| Formula |
C39H42N10
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| Molecular Weight |
650.835
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| Canonical SMILES |
CN(C)C1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
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| InChI |
InChI=1S/C39H42N10/c1-47(2)32-17-22-49(23-18-32)39-41-25-31-24-33(28-8-4-3-5-9-28)35(42-36(31)44-39)29-13-11-27(12-14-29)26-48-20-15-30(16-21-48)37-43-38(46-45-37)34-10-6-7-19-40-34/h3-14,19,24-25,30,32H,15-18,20-23,26H2,1-2H3,(H,43,45,46)
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| InChIKey |
VGPHGBKROHTXGE-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