General Information of the Compound
| Compound ID |
CP0380612
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| Compound Name |
4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide
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| Structure |
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| Formula |
C25H42N4O5S
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| Molecular Weight |
510.701
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| Canonical SMILES |
COc1cc(C)c(c(C)c1)S(=O)(=O)N(C)CCOCC(=O)N1CCC(CN2CCN(C)CC2)CC1
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| InChI |
InChI=1S/C25H42N4O5S/c1-20-16-23(33-5)17-21(2)25(20)35(31,32)27(4)14-15-34-19-24(30)29-8-6-22(7-9-29)18-28-12-10-26(3)11-13-28/h16-17,22H,6-15,18-19H2,1-5H3
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| InChIKey |
RUCYUVVKKKRLGN-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