General Information of the Compound
| Compound ID |
CP0476752
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| Compound Name |
2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)piperazin-1-yl)-N-(pyridin-4-ylmethyl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
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| Structure |
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| Formula |
C29H36ClN7O2
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| Molecular Weight |
550.107
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| Canonical SMILES |
Clc1ccc(CCNc2nccc(n2)N2CCN(CC(=O)N(CC3CCCO3)Cc3ccncc3)CC2)cc1
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| InChI |
InChI=1S/C29H36ClN7O2/c30-25-5-3-23(4-6-25)9-13-32-29-33-14-10-27(34-29)36-17-15-35(16-18-36)22-28(38)37(21-26-2-1-19-39-26)20-24-7-11-31-12-8-24/h3-8,10-12,14,26H,1-2,9,13,15-22H2,(H,32,33,34)
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| InChIKey |
YXAPAHXXQYBYMZ-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