General Information of the Compound
| Compound ID |
CP0541405
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| Compound Name |
1-[2-[2-(3-methoxyphenyl)tetrazol-5-yl]phenyl]-3-(2-nitrophenyl)urea
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| Structure |
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| Formula |
C21H17N7O4
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| Molecular Weight |
431.412
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| Canonical SMILES |
COc1cccc(c1)-n1nnc(n1)-c1ccccc1NC(=O)Nc1ccccc1[N+]([O-])=O
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| InChI |
InChI=1S/C21H17N7O4/c1-32-15-8-6-7-14(13-15)27-25-20(24-26-27)16-9-2-3-10-17(16)22-21(29)23-18-11-4-5-12-19(18)28(30)31/h2-13H,1H3,(H2,22,23,29)
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| InChIKey |
NLOHMGLKEDWSDR-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