General Information of the Compound
| Compound ID |
CP0457676
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| Compound Name |
2-((3,4-dichlorophenyl)(methyl)amino)-1-(4-(3-methoxyphenylsulfonyl)-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl)ethanone
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| Structure |
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| Formula |
C25H32Cl2N4O4S
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| Molecular Weight |
555.528
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| Canonical SMILES |
COc1cccc(c1)S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)CN(C)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C25H32Cl2N4O4S/c1-28(19-8-9-23(26)24(27)14-19)18-25(32)31-13-12-30(17-20(31)16-29-10-3-4-11-29)36(33,34)22-7-5-6-21(15-22)35-2/h5-9,14-15,20H,3-4,10-13,16-18H2,1-2H3
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| InChIKey |
ZMJUQDVSPDXHHZ-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