General Information of the Compound
| Compound ID |
CP0700243
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| Compound Name |
2-[({2-[(1Z)-3-(diethylamino)-1-propenyl]-4-fluorophenyl}-sulfonyl)amino]-5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid
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| Structure |
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| Formula |
C24H29FN2O4S
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| Molecular Weight |
460.571
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| Canonical SMILES |
CCN(CC)C/C=C/c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2
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| InChI |
InChI=1S/C24H29FN2O4S/c1-3-27(4-2)15-7-9-18-16-19(25)12-14-22(18)32(30,31)26-21-13-11-17-8-5-6-10-20(17)23(21)24(28)29/h7,9,11-14,16,26H,3-6,8,10,15H2,1-2H3,(H,28,29)/b9-7+
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| InChIKey |
XMMAHWVNSWYROH-VQHVLOKHSA-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 = 56 nM
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TI
LI
LO
TS
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