General Information of the Compound
| Compound ID |
CP0544270
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| Compound Name |
N-(3-tert-butylphenyl)-4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
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| Structure |
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| Formula |
C26H30N4O2
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| Molecular Weight |
430.552
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| Canonical SMILES |
Cc1ccc(cc1-c1cc(ncn1)N1CCOCC1)C(=O)Nc1cccc(c1)C(C)(C)C
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| InChI |
InChI=1S/C26H30N4O2/c1-18-8-9-19(25(31)29-21-7-5-6-20(15-21)26(2,3)4)14-22(18)23-16-24(28-17-27-23)30-10-12-32-13-11-30/h5-9,14-17H,10-13H2,1-4H3,(H,29,31)
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| InChIKey |
MVCIEOOXCBYSMB-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