General Information of the Compound
| Compound ID |
CP0396179
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| Compound Name |
N-[3-[[2-[4-[(2-imidazol-1-ylacetyl)amino]anilino]-5-nitropyrimidin-4-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C24H21N9O4
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| Molecular Weight |
499.491
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| Canonical SMILES |
[O-][N+](=O)c1cnc(Nc2ccc(NC(=O)Cn3ccnc3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
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| InChI |
InChI=1S/C24H21N9O4/c1-2-21(34)28-18-4-3-5-19(12-18)29-23-20(33(36)37)13-26-24(31-23)30-17-8-6-16(7-9-17)27-22(35)14-32-11-10-25-15-32/h2-13,15H,1,14H2,(H,27,35)(H,28,34)(H2,26,29,30,31)
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| InChIKey |
XKZHHFXNWRSQBF-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