General Information of the Compound
| Compound ID |
CP0639440
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| Compound Name |
5-(Isobutyryl-pyrimidin-4-yl-amino)-4'-methyl-biphenyl-3-carboxylic acid(1-pyrazin-2-yl-ethyl)-amide
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| Structure |
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| Formula |
C28H28N6O2
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| Molecular Weight |
480.572
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| Canonical SMILES |
Cc1ccc(-c2cc(C(=O)NC(C)c3cnccn3)cc(N(C(=O)C(C)C)c3ccncn3)c2)cc1
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| InChI |
InChI=1S/C28H28N6O2/c1-18(2)28(36)34(26-9-10-30-17-32-26)24-14-22(21-7-5-19(3)6-8-21)13-23(15-24)27(35)33-20(4)25-16-29-11-12-31-25/h5-18,20H,1-4H3,(H,33,35)
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| InChIKey |
VWBVNXFSSGRAJN-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