General Information of the Compound
| Compound ID |
CP0362371
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| Compound Name |
N-[(3S)-3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]-4-hydroxybenzamide
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| Structure |
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| Formula |
C23H22FNO4S
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| Molecular Weight |
427.497
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c1ccc(O)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H22FNO4S/c1-30(28,29)21-12-6-17(7-13-21)22(16-2-8-19(24)9-3-16)14-15-25-23(27)18-4-10-20(26)11-5-18/h2-13,22,26H,14-15H2,1H3,(H,25,27)/t22-/m0/s1
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| InChIKey |
JJTODBVNBRXJDQ-QFIPXVFZSA-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