General Information of the Compound
| Compound ID |
CP0519355
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| Compound Name |
1-(4-methoxyphenyl)-3-[4-[[[6-(2-morpholin-4-ylethoxy)-1,3-benzothiazol-2-yl]amino]methyl]phenyl]thiourea
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| Structure |
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| Formula |
C28H31N5O3S2
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| Molecular Weight |
549.722
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| Canonical SMILES |
COc1ccc(NC(=S)Nc2ccc(CNc3nc4ccc(OCCN5CCOCC5)cc4s3)cc2)cc1
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| InChI |
InChI=1S/C28H31N5O3S2/c1-34-23-8-6-22(7-9-23)31-27(37)30-21-4-2-20(3-5-21)19-29-28-32-25-11-10-24(18-26(25)38-28)36-17-14-33-12-15-35-16-13-33/h2-11,18H,12-17,19H2,1H3,(H,29,32)(H2,30,31,37)
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| InChIKey |
WMWMBBKRSRAYHK-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