General Information of the Compound
| Compound ID |
CP0416534
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| Compound Name |
N-[[3-[[4-(4-fluorophenyl)benzoyl]amino]phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide
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| Structure |
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| Formula |
C30H26FN3O5S
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| Molecular Weight |
559.619
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)c1
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| InChI |
InChI=1S/C30H26FN3O5S/c1-37-25-15-21(16-26(38-2)27(25)39-3)29(36)34-30(40)33-24-6-4-5-23(17-24)32-28(35)20-9-7-18(8-10-20)19-11-13-22(31)14-12-19/h4-17H,1-3H3,(H,32,35)(H2,33,34,36,40)
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| InChIKey |
XMXDYIDWOOQSFY-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