General Information of the Compound
| Compound ID |
CP0501259
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| Compound Name |
2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)piperazin-1-yl)-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
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| Structure |
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| Formula |
C26H32ClN7O
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| Molecular Weight |
494.043
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| Canonical SMILES |
CCN(Cc1ccncc1)C(=O)CN1CCN(CC1)c1ccnc(NCCc2ccc(Cl)cc2)n1
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| InChI |
InChI=1S/C26H32ClN7O/c1-2-33(19-22-7-11-28-12-8-22)25(35)20-32-15-17-34(18-16-32)24-10-14-30-26(31-24)29-13-9-21-3-5-23(27)6-4-21/h3-8,10-12,14H,2,9,13,15-20H2,1H3,(H,29,30,31)
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| InChIKey |
NMSVKLQQOOWLRV-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