General Information of the Compound
| Compound ID |
CP0810981
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| Compound Name |
2-[({2-[(1E)-3-(diethylamino)-1-propenyl]phenyl}sulfonyl)-amino]-5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid
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| Structure |
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| Formula |
C22H26N2O4S
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| Molecular Weight |
414.527
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| Canonical SMILES |
CN(C)C/C=C/c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2
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| InChI |
InChI=1S/C22H26N2O4S/c1-24(2)15-7-10-17-9-4-6-12-20(17)29(27,28)23-19-14-13-16-8-3-5-11-18(16)21(19)22(25)26/h4,6-7,9-10,12-14,23H,3,5,8,11,15H2,1-2H3,(H,25,26)/b10-7+
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| InChIKey |
DFQVTIQWMNGTMT-JXMROGBWSA-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