General Information of the Compound
| Compound ID |
CP0155685
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| Compound Name |
3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-chloro-4-methoxyphenyl)urea
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| Structure |
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| Formula |
C21H17ClN4O3
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| Molecular Weight |
408.845
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| Canonical SMILES |
COc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1Cl
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| InChI |
InChI=1S/C21H17ClN4O3/c1-28-17-10-9-14(11-16(17)22)25-21(27)24-13-7-5-12(6-8-13)15-3-2-4-18-19(15)20(23)26-29-18/h2-11H,1H3,(H2,23,26)(H2,24,25,27)
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| InChIKey |
BHSOPYVVEZFHDB-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