General Information of the Compound
| Compound ID |
CP0274865
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| Compound Name |
2-[(2-{[5-(diethylamino)pentan-2-yl]carbamoyl}-4-fluorobenzene)sulfonamido]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C27H36FN3O5S
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| Molecular Weight |
533.666
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| Canonical SMILES |
CCN(CC)CCCC(C)NC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
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| InChI |
InChI=1S/C27H36FN3O5S/c1-4-31(5-2)16-8-9-18(3)29-26(32)22-17-20(28)13-15-24(22)37(35,36)30-23-14-12-19-10-6-7-11-21(19)25(23)27(33)34/h12-15,17-18,30H,4-11,16H2,1-3H3,(H,29,32)(H,33,34)
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| InChIKey |
HGFJNKOCELSVSH-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