General Information of the Compound
| Compound ID |
CP0096180
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| Compound Name |
1-[5-tert-butyl-2-(3-nitrophenyl)pyrazol-3-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea
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| Structure |
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| Formula |
C28H26N8O3
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| Molecular Weight |
522.569
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccccc34)cc2)n(n1)-c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C28H26N8O3/c1-28(2,3)24-16-25(35(34-24)20-7-6-8-21(15-20)36(38)39)33-27(37)32-19-13-11-18(12-14-19)31-26-22-9-4-5-10-23(22)29-17-30-26/h4-17H,1-3H3,(H,29,30,31)(H2,32,33,37)
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| InChIKey |
ZMQAYSHYLVAIDP-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