General Information of the Compound
| Compound ID |
CP0481319
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| Compound Name |
4-tert-butyl-N-[3-[4-[4-(morpholine-4-carbonyl)anilino]pyrimidin-2-yl]phenyl]benzamide
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| Structure |
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| Formula |
C32H33N5O3
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| Molecular Weight |
535.648
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1nccc(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
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| InChI |
InChI=1S/C32H33N5O3/c1-32(2,3)25-11-7-22(8-12-25)30(38)35-27-6-4-5-24(21-27)29-33-16-15-28(36-29)34-26-13-9-23(10-14-26)31(39)37-17-19-40-20-18-37/h4-16,21H,17-20H2,1-3H3,(H,35,38)(H,33,34,36)
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| InChIKey |
XXOGRVWUVZMREQ-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