General Information of the Compound
| Compound ID |
CP0375622
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| Compound Name |
N-benzyl-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
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| Structure |
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| Formula |
C27H40N4O4S
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| Molecular Weight |
516.708
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| Canonical SMILES |
COc1cc(C)c(c(C)c1C)S(=O)(=O)NCC(=O)N(CCCN1CCN(C)CC1)Cc1ccccc1
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| InChI |
InChI=1S/C27H40N4O4S/c1-21-18-25(35-5)22(2)23(3)27(21)36(33,34)28-19-26(32)31(20-24-10-7-6-8-11-24)13-9-12-30-16-14-29(4)15-17-30/h6-8,10-11,18,28H,9,12-17,19-20H2,1-5H3
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| InChIKey |
DXYGMJYWTLYBMU-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