General Information of the Compound
| Compound ID |
CP0579274
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| Compound Name |
2-[4-[4-(azepane-1-carbonyl)piperazin-1-yl]sulfonylpiperazin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
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| Structure |
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| Formula |
C24H37ClN6O5S
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| Molecular Weight |
557.117
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| Canonical SMILES |
COc1ccc(Cl)cc1NC(=O)CN1CCN(CC1)S(=O)(=O)N1CCN(CC1)C(=O)N1CCCCCC1
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| InChI |
InChI=1S/C24H37ClN6O5S/c1-36-22-7-6-20(25)18-21(22)26-23(32)19-27-10-14-30(15-11-27)37(34,35)31-16-12-29(13-17-31)24(33)28-8-4-2-3-5-9-28/h6-7,18H,2-5,8-17,19H2,1H3,(H,26,32)
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| InChIKey |
RIINVHMXJQFFOU-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