General Information of the Compound
| Compound ID |
CP0296999
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| Compound Name |
2-[(2-{[5-(diethylamino)pentan-2-yl]carbamoyl}benzene)sulfonamido]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C27H37N3O5S
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| Molecular Weight |
515.676
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| Canonical SMILES |
CCN(CC)CCCC(C)NC(=O)c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
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| InChI |
InChI=1S/C27H37N3O5S/c1-4-30(5-2)18-10-11-19(3)28-26(31)22-14-8-9-15-24(22)36(34,35)29-23-17-16-20-12-6-7-13-21(20)25(23)27(32)33/h8-9,14-17,19,29H,4-7,10-13,18H2,1-3H3,(H,28,31)(H,32,33)
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| InChIKey |
DUDJCEJFMZMHHZ-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 = 2600 nM
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TI
LI
LO
TS
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