General Information of the Compound
| Compound ID |
CP0550586
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| Compound Name |
N-[2-(3-aminoanilino)pyrimidin-5-yl]-2-methyl-5-[[3-(4-methylphenyl)benzoyl]amino]benzamide
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| Structure |
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| Formula |
C32H28N6O2
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| Molecular Weight |
528.616
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| Canonical SMILES |
Cc1ccc(cc1)-c1cccc(c1)C(=O)Nc1ccc(C)c(c1)C(=O)Nc1cnc(Nc2cccc(N)c2)nc1
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| InChI |
InChI=1S/C32H28N6O2/c1-20-9-12-22(13-10-20)23-5-3-6-24(15-23)30(39)36-27-14-11-21(2)29(17-27)31(40)37-28-18-34-32(35-19-28)38-26-8-4-7-25(33)16-26/h3-19H,33H2,1-2H3,(H,36,39)(H,37,40)(H,34,35,38)
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| InChIKey |
MBLYISXCENKRLF-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