General Information of the Compound
| Compound ID |
CP0469237
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| Compound Name |
N-[4-[2-[4-[3-(4-amino-5-chloro-2-methoxyphenyl)-3-oxopropyl]piperidin-1-yl]ethylsulfamoyl]phenyl]acetamide
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| Formula |
C25H33ClN4O5S
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| Molecular Weight |
537.082
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1
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| InChI |
InChI=1S/C25H33ClN4O5S/c1-17(31)29-19-4-6-20(7-5-19)36(33,34)28-11-14-30-12-9-18(10-13-30)3-8-24(32)21-15-22(26)23(27)16-25(21)35-2/h4-7,15-16,18,28H,3,8-14,27H2,1-2H3,(H,29,31)
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| InChIKey |
KQTMTTCTCQVNRF-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