General Information of the Compound
| Compound ID |
CP0432914
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| Compound Name |
2-[2-[(4-fluorophenyl)sulfonylamino]-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b]indol-5-yl]acetic acid
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| Structure |
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| Formula |
C21H23FN2O4S
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| Molecular Weight |
418.49
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| Canonical SMILES |
OC(=O)CN1C2CCCCCC2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
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| InChI |
InChI=1S/C21H23FN2O4S/c22-14-6-9-16(10-7-14)29(27,28)23-15-8-11-20-18(12-15)17-4-2-1-3-5-19(17)24(20)13-21(25)26/h6-12,17,19,23H,1-5,13H2,(H,25,26)
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| InChIKey |
HNROBLLXPPBPNO-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