General Information of the Compound
| Compound ID |
CP0444052
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| Compound Name |
N-[3-[[5-nitro-2-[4-[3-(tetrazol-1-yl)propoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C23H22N10O4
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| Molecular Weight |
502.495
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| Canonical SMILES |
[O-][N+](=O)c1cnc(Nc2ccc(OCCCn3cnnn3)cc2)nc1Nc1cccc(NC(=O)C=C)c1
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| InChI |
InChI=1S/C23H22N10O4/c1-2-21(34)26-17-5-3-6-18(13-17)27-22-20(33(35)36)14-24-23(29-22)28-16-7-9-19(10-8-16)37-12-4-11-32-15-25-30-31-32/h2-3,5-10,13-15H,1,4,11-12H2,(H,26,34)(H2,24,27,28,29)
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| InChIKey |
GSJTVPXNEUMNGF-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