General Information of the Compound
| Compound ID |
CP0498972
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| Compound Name |
1-(4-methoxy-2,3-dimethylphenylsulfonyl)-2-methyl-N-(3-(4-methylpiperazin-1-yl)propyl)-1H-indole-3-carboxamide
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| Structure |
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| Formula |
C27H36N4O4S
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| Molecular Weight |
512.676
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| Canonical SMILES |
COc1ccc(c(C)c1C)S(=O)(=O)n1c(C)c(C(=O)NCCCN2CCN(C)CC2)c2ccccc12
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| InChI |
InChI=1S/C27H36N4O4S/c1-19-20(2)25(12-11-24(19)35-5)36(33,34)31-21(3)26(22-9-6-7-10-23(22)31)27(32)28-13-8-14-30-17-15-29(4)16-18-30/h6-7,9-12H,8,13-18H2,1-5H3,(H,28,32)
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| InChIKey |
LMOQRPKIDDELJS-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