General Information of the Compound
| Compound ID |
CP0468837
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| Compound Name |
1-(4-isothiocyanatophenyl)-3-[2-[2-(3-methoxyphenyl)tetrazol-5-yl]phenyl]urea
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| Structure |
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| Formula |
C22H17N7O2S
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| Molecular Weight |
443.492
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| Canonical SMILES |
COc1cccc(c1)-n1nnc(n1)-c1ccccc1NC(=O)Nc1ccc(cc1)N=C=S
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| InChI |
InChI=1S/C22H17N7O2S/c1-31-18-6-4-5-17(13-18)29-27-21(26-28-29)19-7-2-3-8-20(19)25-22(30)24-16-11-9-15(10-12-16)23-14-32/h2-13H,1H3,(H2,24,25,30)
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| InChIKey |
GJJVSOUFGJBHNF-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