General Information of the Compound
| Compound ID |
CP0201244
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| Compound Name |
N,N-dimethyl-4-[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]piperazine-1-carboxamide
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| Structure |
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| Formula |
C39H41N11O
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| Molecular Weight |
679.833
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| Canonical SMILES |
CN(C)C(=O)N1CCN(CC1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
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| InChI |
InChI=1S/C39H41N11O/c1-47(2)39(51)50-22-20-49(21-23-50)38-41-25-31-24-32(28-8-4-3-5-9-28)34(42-35(31)44-38)29-13-11-27(12-14-29)26-48-18-15-30(16-19-48)36-43-37(46-45-36)33-10-6-7-17-40-33/h3-14,17,24-25,30H,15-16,18-23,26H2,1-2H3,(H,43,45,46)
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| InChIKey |
FKIRVEJKZMAERK-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