General Information of the Compound
| Compound ID |
CP0186448
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| Compound Name |
2-[(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}benzene)sulfonamido]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C25H34N4O4S
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| Molecular Weight |
486.638
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| Canonical SMILES |
CN1CCN(CCCNc2ccccc2S(=O)(=O)Nc2ccc3CCCCc3c2C(O)=O)CC1
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| InChI |
InChI=1S/C25H34N4O4S/c1-28-15-17-29(18-16-28)14-6-13-26-21-9-4-5-10-23(21)34(32,33)27-22-12-11-19-7-2-3-8-20(19)24(22)25(30)31/h4-5,9-12,26-27H,2-3,6-8,13-18H2,1H3,(H,30,31)
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| InChIKey |
NJYWMJXFIMGVQL-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
Protein ID: PT00973, Methionine aminopeptidase 2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000156 | HT-1080 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 410 nM
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TI
LI
LO
TS
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