General Information of the Compound
| Compound ID |
CP0549790
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| Compound Name |
N-[[4-[phenyl(pyridin-4-ylmethyl)sulfamoyl]phenyl]carbamothioyl]quinoline-7-carboxamide
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| Structure |
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| Formula |
C29H23N5O3S2
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| Molecular Weight |
553.669
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| Canonical SMILES |
O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccncc1)c1ccccc1)c1ccc2cccnc2c1
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| InChI |
InChI=1S/C29H23N5O3S2/c35-28(23-9-8-22-5-4-16-31-27(22)19-23)33-29(38)32-24-10-12-26(13-11-24)39(36,37)34(25-6-2-1-3-7-25)20-21-14-17-30-18-15-21/h1-19H,20H2,(H2,32,33,35,38)
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| InChIKey |
AASCCWNHDQOOCG-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