General Information of the Compound
| Compound ID |
CP0472112
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| Compound Name |
5,6-dichloro-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole-3-carboxamide
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| Structure |
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| Formula |
C18H16Cl2N2O3
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| Molecular Weight |
379.243
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| Canonical SMILES |
Clc1cc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2cc1Cl
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| InChI |
InChI=1S/C18H16Cl2N2O3/c19-13-10-15-16(11-14(13)20)25-18(24)22(15)17(23)21-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2,(H,21,23)
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| InChIKey |
XKYAINCUPIALNP-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