General Information of the Compound
| Compound ID |
CP0568829
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| Compound Name |
N-(5-chloro-2-methoxyphenyl)-2-[(3R)-3-methyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]acetamide
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| Structure |
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| Formula |
C20H31ClN4O4S
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| Molecular Weight |
459.012
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| Canonical SMILES |
COc1ccc(Cl)cc1NC(=O)CN1CCN([C@H](C)C1)S(=O)(=O)N1CCC(C)CC1
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| InChI |
InChI=1S/C20H31ClN4O4S/c1-15-6-8-24(9-7-15)30(27,28)25-11-10-23(13-16(25)2)14-20(26)22-18-12-17(21)4-5-19(18)29-3/h4-5,12,15-16H,6-11,13-14H2,1-3H3,(H,22,26)/t16-/m1/s1
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| InChIKey |
LILAFWUPCNXBOP-MRXNPFEDSA-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