General Information of the Compound
| Compound ID |
CP0406561
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| Compound Name |
cyclopentyl-[4-[2-methyl-4-[(6-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]phenoxy]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C29H36N6O3
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| Molecular Weight |
516.646
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| Canonical SMILES |
Cc1cc(Nc2ncnc3cnc(cc23)N2CCOCC2)ccc1OC1CCN(CC1)C(=O)C1CCCC1
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| InChI |
InChI=1S/C29H36N6O3/c1-20-16-22(6-7-26(20)38-23-8-10-35(11-9-23)29(36)21-4-2-3-5-21)33-28-24-17-27(34-12-14-37-15-13-34)30-18-25(24)31-19-32-28/h6-7,16-19,21,23H,2-5,8-15H2,1H3,(H,31,32,33)
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| InChIKey |
GSUCDZWFLIUUSV-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