General Information of the Compound
| Compound ID |
CP0448477
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| Compound Name |
2-(3-Anthracen-2-yl-ureido)-4-chloro-benzoic acid
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| Structure |
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| Formula |
C22H15ClN2O3
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| Molecular Weight |
390.826
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| Canonical SMILES |
OC(=O)c1ccc(Cl)cc1NC(=O)Nc1ccc2cc3ccccc3cc2c1
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| InChI |
InChI=1S/C22H15ClN2O3/c23-17-6-8-19(21(26)27)20(12-17)25-22(28)24-18-7-5-15-9-13-3-1-2-4-14(13)10-16(15)11-18/h1-12H,(H,26,27)(H2,24,25,28)
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| InChIKey |
HLRWVIIOKMXDKX-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