General Information of the Compound
| Compound ID |
CP0509942
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| Compound Name |
4,4-dibenzyl-6-(3-chlorophenyl)-1H-3,1-benzoxazine-2-thione
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| Structure |
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| Formula |
C28H22ClNOS
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| Molecular Weight |
456.01
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| Canonical SMILES |
Clc1cccc(c1)-c1ccc2NC(=S)OC(Cc3ccccc3)(Cc3ccccc3)c2c1
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| InChI |
InChI=1S/C28H22ClNOS/c29-24-13-7-12-22(16-24)23-14-15-26-25(17-23)28(31-27(32)30-26,18-20-8-3-1-4-9-20)19-21-10-5-2-6-11-21/h1-17H,18-19H2,(H,30,32)
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| InChIKey |
FNXHYOFYGFDMGS-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