General Information of the Compound
| Compound ID |
CP0501210
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| Compound Name |
N-[2-(diethylamino)ethyl]-2-methoxy-4-[(4-methylsulfanylphenyl)carbamoylamino]benzamide
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| Structure |
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| Formula |
C22H30N4O3S
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| Molecular Weight |
430.574
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| Canonical SMILES |
CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(SC)cc2)cc1OC
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| InChI |
InChI=1S/C22H30N4O3S/c1-5-26(6-2)14-13-23-21(27)19-12-9-17(15-20(19)29-3)25-22(28)24-16-7-10-18(30-4)11-8-16/h7-12,15H,5-6,13-14H2,1-4H3,(H,23,27)(H2,24,25,28)
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| InChIKey |
OGTOAPUDELAZCY-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